1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol

C17H20O3 — CID 78930168

IUPAC1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccc(OCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-13(18)14-8-10-16(11-9-14)20-12-17(2,19)15-6-4-3-5-7-15/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyWJMWVIJWJVZVBY-CWQZNGJJSA-N
MW272.34 g/mol
LogP3.03
Rot. Bonds5

About 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol

1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (PubChem CID 78930168) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
PubChem CID78930168
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccc(OCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-13(18)14-8-10-16(11-9-14)20-12-17(2,19)15-6-4-3-5-7-15/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyWJMWVIJWJVZVBY-CWQZNGJJSA-N
XLogP3.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-[4-(methylamino)phenoxy]-2-phenylpropan-2-ol
CID 62373858
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78931763
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
1-(3-bromo-4-fluorophenoxy)-2-phenylpropan-2-ol
CID 83234065
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (CID 78930168) is 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is C[C@H](O)c1ccc(OCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The InChIKey is WJMWVIJWJVZVBY-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H20O3/c1-13(18)14-8-10-16(11-9-14)20-12-17(2,19)15-6-4-3-5-7-15/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol has a molecular weight of 272.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 78930168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).