AG00G847

79338-84-4 | 3,5-Dihydroxy-4-isopropylstilbene

AG00G847

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CAS Number	79338-84-4
Catalog Number	AG00G847(AGN-PC-0OI87J)
Chemical Name	3,5-Dihydroxy-4-isopropylstilbene
IUPAC Name	5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
InChI	InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChI Key	ZISJNXNHJRQYJO-CMDGGOBGSA-N
MDL Number	MFCD13193203
Molecular Formula	C17H18O2
Molecular Weight	254.3236
SMILES	C(=C/C1=CC=CC=C1)C2=CC(O)=C(C(C)C)C(O)=C2
UNII	84HW7D0V04
Synonyms	2-isopropyl-5-(2-phenylethenyl)benzene-1,3-diol, 3,5-DH4IS, 3,5-dihydroxy-4-isopropylstilbene, 5-(2-phenylethenyl)-2-isopropyl-1,3-benzenediol, benvitimod, GSK2894512, tapinarof, WBI-1001, Tapinarof, Benvitimod, 79338-84-4, 3,5-Dihydroxy-4-isopropylstilbene, WBI 1001, WBI-1001, GSK2894512, UNII-84HW7D0V04, (E)-2-(1-Methylethyl)-5-(2-phenylethenyl)-1,3-benzenediol, 84HW7D0V04, (E)-2-isopropyl-5-styrylbenzene-1,3-diol, 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol, 1,3-Benzenediol, 2-(1-methylethyl)-5-[(1E)-2-phenylethenyl]-, 3,5-DH4IS, Tapinarof [USAN], AC1O5RUE, AC1Q1OF9, SCHEMBL918343, CHEMBL259571, GTPL9686, BCP13569, ZINC5761533, (E)-4-Isopropylstilbene-3,5-diol, MFCD13193203, AKOS025296109, SB18964, WB-1001, GSK-2894512, AS-44364, HY-109044, CS-0031487, 2-(1-methylethyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol, 1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)-, (E)-, DHPS, C17-H18-O2, CID6439522,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	254.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	254.329g/mol
Monoisotopic Mass	254.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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