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

C17H20O3 — CID 78931763

IUPAC1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccccc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20O3/c1-13(18)15-10-6-7-11-16(15)20-12-17(2,19)14-8-4-3-5-9-14/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyCRUDEPHDNYSWBM-CWQZNGJJSA-N
MW272.34 g/mol
LogP3.03
Rot. Bonds5

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

1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (PubChem CID 78931763) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
PubChem CID78931763
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
SMILESC[C@H](O)c1ccccc1OCC(C)(O)c1ccccc1
InChIInChI=1S/C17H20O3/c1-13(18)15-10-6-7-11-16(15)20-12-17(2,19)14-8-4-3-5-9-14/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1
InChIKeyCRUDEPHDNYSWBM-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-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol (CID 78931763) is 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is C[C@H](O)c1ccccc1OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
The InChIKey is CRUDEPHDNYSWBM-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H20O3/c1-13(18)15-10-6-7-11-16(15)20-12-17(2,19)14-8-4-3-5-9-14/h3-11,13,18-19H,12H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of 1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol?
1-[2-[(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-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 78931763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).