(2R,3S)-2-methyl-3-phenyloxirane

C9H10O — CID 6452030

IUPAC(2R,3S)-2-methyl-3-phenyloxirane
SMILESC[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1
InChIKeyYVCOJTATJWDGEU-VXNVDRBHSA-N
MW134.18 g/mol
LogP2.15
Rot. Bonds1

About (2R,3S)-2-methyl-3-phenyloxirane

(2R,3S)-2-methyl-3-phenyloxirane (PubChem CID 6452030) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-phenyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-phenyloxirane
PubChem CID6452030
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(2R,3S)-2-methyl-3-phenyloxirane
SMILESC[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1
InChIKeyYVCOJTATJWDGEU-VXNVDRBHSA-N
XLogP2.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-methyl-3-phenyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-phenyloxirane?
The IUPAC name of (2R,3S)-2-methyl-3-phenyloxirane (CID 6452030) is (2R,3S)-2-methyl-3-phenyloxirane.
What is the SMILES notation for (2R,3S)-2-methyl-3-phenyloxirane?
The canonical SMILES for (2R,3S)-2-methyl-3-phenyloxirane is C[C@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-methyl-3-phenyloxirane?
The InChIKey is YVCOJTATJWDGEU-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m1/s1.
What are the key properties of (2R,3S)-2-methyl-3-phenyloxirane?
(2R,3S)-2-methyl-3-phenyloxirane has a molecular weight of 134.18 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-phenyloxirane is sourced from PubChem (CID 6452030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).