2-[(1S)-1-hydroxy-2-phenylethyl]phenol

C14H14O2 — CID 86312713

IUPAC2-[(1S)-1-hydroxy-2-phenylethyl]phenol
SMILESOc1ccccc1[C@@H](O)Cc1ccccc1
InChIInChI=1S/C14H14O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyOQOCSCWMMZVDHS-AWEZNQCLSA-N
MW214.26 g/mol
LogP2.67
Rot. Bonds3

About 2-[(1S)-1-hydroxy-2-phenylethyl]phenol

2-[(1S)-1-hydroxy-2-phenylethyl]phenol (PubChem CID 86312713) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxy-2-phenylethyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-hydroxy-2-phenylethyl]phenol
PubChem CID86312713
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-[(1S)-1-hydroxy-2-phenylethyl]phenol
SMILESOc1ccccc1[C@@H](O)Cc1ccccc1
InChIInChI=1S/C14H14O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyOQOCSCWMMZVDHS-AWEZNQCLSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
(1R)-1,2-diphenylethanol
CID 1379022
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
(1-hydroxy-1-oxonio-3-phenylpropan-2-yl)oxidanium
CID 100992087
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
1,6-diphenylhexane-2,5-diol
CID 15072586

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxy-2-phenylethyl]phenol?
The IUPAC name of 2-[(1S)-1-hydroxy-2-phenylethyl]phenol (CID 86312713) is 2-[(1S)-1-hydroxy-2-phenylethyl]phenol.
What is the SMILES notation for 2-[(1S)-1-hydroxy-2-phenylethyl]phenol?
The canonical SMILES for 2-[(1S)-1-hydroxy-2-phenylethyl]phenol is Oc1ccccc1[C@@H](O)Cc1ccccc1.
What is the InChIKey of 2-[(1S)-1-hydroxy-2-phenylethyl]phenol?
The InChIKey is OQOCSCWMMZVDHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,14-16H,10H2/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxy-2-phenylethyl]phenol?
2-[(1S)-1-hydroxy-2-phenylethyl]phenol has a molecular weight of 214.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxy-2-phenylethyl]phenol is sourced from PubChem (CID 86312713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).