1-[(2S)-oxiran-2-yl]-2-phenylethanol

C10H12O2 — CID 54466399

IUPAC1-[(2S)-oxiran-2-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)[C@@H]1CO1
InChIInChI=1S/C10H12O2/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9?,10-/m0/s1
InChIKeyXFDZUHZSHJEMME-AXDSSHIGSA-N
MW164.20 g/mol
LogP0.99
Rot. Bonds3

About 1-[(2S)-oxiran-2-yl]-2-phenylethanol

1-[(2S)-oxiran-2-yl]-2-phenylethanol (PubChem CID 54466399) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-[(2S)-oxiran-2-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[(2S)-oxiran-2-yl]-2-phenylethanol
PubChem CID54466399
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-[(2S)-oxiran-2-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)[C@@H]1CO1
InChIInChI=1S/C10H12O2/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9?,10-/m0/s1
InChIKeyXFDZUHZSHJEMME-AXDSSHIGSA-N
XLogP0.99
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
1-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 10241725
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
CID 22856131
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(1S)-N-methyl-1-[(2S)-oxiran-2-yl]-2-phenylethanamine
CID 11008481
(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
CID 134987697
(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol
CID 59899657

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxiran-2-yl]-2-phenylethanol?
The IUPAC name of 1-[(2S)-oxiran-2-yl]-2-phenylethanol (CID 54466399) is 1-[(2S)-oxiran-2-yl]-2-phenylethanol.
What is the SMILES notation for 1-[(2S)-oxiran-2-yl]-2-phenylethanol?
The canonical SMILES for 1-[(2S)-oxiran-2-yl]-2-phenylethanol is OC(Cc1ccccc1)[C@@H]1CO1.
What is the InChIKey of 1-[(2S)-oxiran-2-yl]-2-phenylethanol?
The InChIKey is XFDZUHZSHJEMME-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H12O2/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9?,10-/m0/s1.
What are the key properties of 1-[(2S)-oxiran-2-yl]-2-phenylethanol?
1-[(2S)-oxiran-2-yl]-2-phenylethanol has a molecular weight of 164.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxiran-2-yl]-2-phenylethanol is sourced from PubChem (CID 54466399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).