![Chemical structure of 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol, CAS 13029-44-2](https://api.angenesci.com/structure/66/13029-44-2.png)
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| CAS Number | 13029-44-2 |
| Catalog Number | AG000U89(AGN-PC-0O0XVL) |
| Chemical Name | 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol |
| EC Number | 201-519-7 |
| IUPAC Name | 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol |
| InChI | InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+ |
| InChI Key | NFDFQCUYFHCNBW-SCGPFSFSSA-N |
| MDL Number | MFCD00050983 |
| Molecular Formula | C18H18O2 |
| Molecular Weight | 266.3343 |
| NSC Number | 756734 |
| SMILES | C/C=C(C1=CC=C(O)C=C1)/C(/C1=CC=C(O)C=C1)=C/C |
| UNII | RRW32X4U1F |
| Synonyms | 4,4'-(Diethylideneethylene)diphenol,
Dienestrol,
Dienestrol, (E,E)-Isomer,
Dienestrol, (Z,E)-Isomer,
Dienestrol, (Z,Z)-Isomer,
Dienoestrol,
Oestrasid,
Ortho Dienestrol,
Synestrol,
dienestrol,
Dehydrostilbestrol,
Dienoestrol,
Cycladiene,
84-17-3,
Dehydrostilboestrol,
Dienestrolum,
Dienesterol,
(E,E)-Dienestrol,
alpha-Dienestrol,
E,E-Dienestrol,
Dienol,
Dienestrol (E,E),
Dienoestrol bp,
Estraguard,
Estrodienol,
Follidiene,
Oestrodiene,
Oestrasid,
Restrol,
Di(p-oxyphenyl)-2,4-hexadiene,
13029-44-2,
Oestrodienol,
p,p'-(Diethylideneethylene)diphenol,
Dinestrol,
Estragard,
Estroral,
Follormon,
Gynefollin,
Hormofemin,
Oestroral,
Oestrovis,
Sexadien,
Teserene,
Willnestrol,
Agaldog,
Dinovex,
Retalon,
para-Dien,
3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene,
UNII-RRW32X4U1F,
MLS000069528,
3,4-Bis(p-hydroxyphenyl)-2,4-hexadiene,
4,4'-hexa-2,4-diene-3,4-diyldiphenol,
NSC 59809,
Dienestrolo [DCIT],
4,4'-(Diethylideneethylene)diphenol,
4,4'-(1,2-Diethylidene-1,2-ethanediyl)bisphenol,
RRW32X4U1F,
Phenol, 4,4'-(diethylideneethylene)di-,
SMR000058597,
4,4'-Hydroxy-gamma,delta-diphenyl-beta,delta-hexadiene,
2,4-Hexadiene, 3,4-bis(4-hydroxyphenyl)-,
Dienestrolum [INN-Latin],
NFDFQCUYFHCNBW-SCGPFSFSSA-N,
Dienestrolo,
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-,
Di(para-oxyphenyl)-2,4-hexadiene,
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol,
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)-,
DSSTox_CID_2382,
DSSTox_RID_76566,
DSSTox_GSID_22382,
para,para'-(Diethylideneethylene)diphenol,
CCRIS 9121,
3,4-Bis(para-hydroxyphenyl)-2,4-hexadiene,
HSDB 3313,
Phenol, 4,4'-(diethylideneethylene)di-, trans-, (E,E)-,
Phenol, 4,4'-((1E,2E)-1,2-diethylidene-1,2-ethanediyl)bis-,
EINECS 201-519-7,
Dienoestrol [Nonsteroidal oestrogens],
DV,
Dienestrol, (E,E)-Isomer,
4,4'-Dihydroxy-gamma,delta-diphenyl-beta,delta-hexadiene,
Dienestrol [INN],
Dienestrol (USP/INN),
SR-01000003032,
CHEBI:4518,
Dienestrol [USP:INN:BAN],
DV (TN),
CAS-84-17-3,
Prestwick_52,
NCGC00016335-01,
Dienestrol(Restrol),
(E,E)-4,4'-(Diethylideneethylene)diphenol,
Opera_ID_421,
alpha-dienestrol diacetate,
Prestwick2_000798,
Prestwick3_000798,
Spectrum5_000875,
AC1LDI60,
CHEMBL1018,
SCHEMBL52170,
BSPBio_000936,
BSPBio_002177,
MLS001077274,
MLS002207222,
MLS002222156,
SPECTRUM1500241,
4,4'-(2E,4E)-hexa-2,4-diene-3,4-diyldiphenol,
AC1Q7B18,
BPBio1_001030,
cid_667476,
GTPL7160,
SCHEMBL2896853,
ZINC1283,
DTXSID7022382,
BDBM40491,
HMS502G13,
HMS1570O18,
HMS1920G04,
HMS2091M14,
HMS2097O18,
HMS2232M11,
HMS3714O18,
Pharmakon1600-01500241,
HY-B1403,
Tox21_110378,
2375AH,
CCG-40189,
MFCD00050983,
NSC756734,
AKOS015902490,
Tox21_110378_1,
CS-4911,
DB00890,
NSC-756734,
IDI1_000771,
NCGC00018153-03,
NCGC00018153-04,
NCGC00018153-05,
NCGC00018153-06,
NCGC00018153-07,
NCGC00018153-10,
NCGC00022210-03,
NCGC00022210-04,
NCGC00178779-01,
NCGC00178779-02,
AC-13162,
AN-24070,
SBI-0051344.P003,
AB2000337,
LS-104381,
TR-026060,
D0449,
C08090,
D00898,
Dienestrol, VETRANAL(TM), analytical standard,
AB00051967_16,
J-005782,
SR-01000003032-2,
SR-01000003032-4,
4,4'-((2E,4E)-hexa-2,4-diene-3,4-diyl)diphenol,
4,4'-[(2E,4E)-2,4-Hexadiene-3,4-diyl]diphenol,
BRD-K55106630-001-01-0,
BRD-K95309561-001-05-6,
BRD-K95309561-001-15-5,
I14-19858,
Dienestrol, European Pharmacopoeia (EP) Reference Standard,
4-[(E,1E)-1-ethylidene-2-(4-hydroxyphenyl)but-2-enyl]phenol,
Dienestrol, United States Pharmacopeia (USP) Reference Standard,
4,4'-Dihydroxy-.gamma.,.delta.-diphenyl-.beta.,.delta.-hexadiene,
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)- (9CI),
Synestrol,
Dienoestrolum,
Isodienestrol,
Mesohexestrol,
beta-Dienestrol,
Estan,
dienestrol-,
Ortho Dienestrol,
Restrol, Dienestrol,
(Z,Z)-Dienestrol,
Estan (Salt/Mix),
Dienestrol [USAN:INN],
D09ZQN,
Dienestrol, (Z,E)-Isomer,
Dienestrol, (Z,Z)-Isomer,
UNII-45CG6C2N6E,
C18H18O2,
CCRIS 7090,
AR-1F8019,
CID667476,
C18-H18-O2,
A10307,
D004028,
4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol,
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E-(9CI),
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (Z,Z)-,
35495-11-5,
96056-51-8,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 266.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.34g/mol |
| Monoisotopic Mass | 266.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
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