[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol

C10H12O2 — CID 146013976

IUPAC[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
SMILESC[C@@]1(CO)OC1c1ccccc1
InChIInChI=1S/C10H12O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9?,10-/m0/s1
InChIKeyZXCJUHWLCBNLOX-AXDSSHIGSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds2

About [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol

[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol (PubChem CID 146013976) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
PubChem CID146013976
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
SMILESC[C@@]1(CO)OC1c1ccccc1
InChIInChI=1S/C10H12O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9?,10-/m0/s1
InChIKeyZXCJUHWLCBNLOX-AXDSSHIGSA-N
XLogP1.51
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol (CID 146013976) is [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol is C[C@@]1(CO)OC1c1ccccc1.
What is the InChIKey of [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol?
The InChIKey is ZXCJUHWLCBNLOX-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9?,10-/m0/s1.
What are the key properties of [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol?
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol has a molecular weight of 164.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-3-phenyloxiran-2-yl]methanol is sourced from PubChem (CID 146013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).