| CAS Number | 885949-51-9 |
| Catalog Number | AG00IO89(AGN-PC-0WAR9F) |
| Chemical Name | 3-{4-[(4-Methylbenzyl)oxy]phenyl}-1-propanol |
| IUPAC Name | 3-[4-[(4-methylphenyl)methoxy]phenyl]propan-1-ol |
| InChI | InChI=1S/C17H20O2/c1-14-4-6-16(7-5-14)13-19-17-10-8-15(9-11-17)3-2-12-18/h4-11,18H,2-3,12-13H2,1H3 |
| InChI Key | VCGBLTKXKLQXIE-UHFFFAOYSA-N |
| MDL Number | MFCD06797382 |
| Molecular Formula | C17H20O2 |
| Molecular Weight | 256.3395 |
| SMILES | O(C1(=CC=C(CCCO)C=C1))CC2(=CC=C(C)C=C2) |
| Synonyms | 3-{4-[(4-Methylbenzyl)oxy]phenyl}-1-propanol,
885949-51-9,
3-{4-[(4-methylphenyl)methoxy]phenyl}propan-1-ol,
3-[4-[(4-methylphenyl)methoxy]phenyl]propan-1-ol,
AC1MC8BP,
methylbenzyloxyphenylpropanol,
SCHEMBL14033258,
CTK8A4025,
KS-00001T9K,
ZINC3883513,
ZX-AT016351,
MFCD06797382,
SBB101756,
AKOS005069677,
RP14557,
TR-062841,
3-[4-(4-methylbenzyloxy)phenyl]-1-propanol,
12Y-0700,
ZINC03883513,
CID2763458,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.345g/mol |
| Monoisotopic Mass | 256.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number