(1S)-1-phenylethanol

C16H20O2 — CID 157125626

IUPAC(1S)-1-phenylethanol
SMILESC[C@H](O)c1ccccc1.C[C@H](O)c1ccccc1
InChIInChI=1S/2C8H10O/c2*1-7(9)8-5-3-2-4-6-8/h2*2-7,9H,1H3/t2*7-/m00/s1
InChIKeyAILYJCHMDSZEOL-VGMFFHCQSA-N
MW244.33 g/mol
LogP3.48
Rot. Bonds2

About (1S)-1-phenylethanol

(1S)-1-phenylethanol (PubChem CID 157125626) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1S)-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-phenylethanol
PubChem CID157125626
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1S)-1-phenylethanol
SMILESC[C@H](O)c1ccccc1.C[C@H](O)c1ccccc1
InChIInChI=1S/2C8H10O/c2*1-7(9)8-5-3-2-4-6-8/h2*2-7,9H,1H3/t2*7-/m00/s1
InChIKeyAILYJCHMDSZEOL-VGMFFHCQSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;(1R)-1-phenylethanol
CID 126646564
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
nitric acid;1-phenylethanol
CID 67855225
2,2,2-trideuterio-1-phenylethanol
CID 15618819
1-[3-(2-phenylphenyl)phenyl]ethanol
CID 70377718
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
cumene;hydrogen peroxide
CID 21225480
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
ethenyl acetate;1-phenylethanol
CID 170349745
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenylethanol?
The IUPAC name of (1S)-1-phenylethanol (CID 157125626) is (1S)-1-phenylethanol.
What is the SMILES notation for (1S)-1-phenylethanol?
The canonical SMILES for (1S)-1-phenylethanol is C[C@H](O)c1ccccc1.C[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-1-phenylethanol?
The InChIKey is AILYJCHMDSZEOL-VGMFFHCQSA-N. The full InChI is InChI=1S/2C8H10O/c2*1-7(9)8-5-3-2-4-6-8/h2*2-7,9H,1H3/t2*7-/m00/s1.
What are the key properties of (1S)-1-phenylethanol?
(1S)-1-phenylethanol has a molecular weight of 244.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenylethanol is sourced from PubChem (CID 157125626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).