(2S)-2-(3,4-dimethylphenyl)oxirane

C10H12O — CID 40580634

IUPAC(2S)-2-(3,4-dimethylphenyl)oxirane
SMILESCc1ccc([C@H]2CO2)cc1C
InChIInChI=1S/C10H12O/c1-7-3-4-9(5-8(7)2)10-6-11-10/h3-5,10H,6H2,1-2H3/t10-/m1/s1
InChIKeyGMFDVHPDGHUBBS-SNVBAGLBSA-N
MW148.20 g/mol
LogP2.37
Rot. Bonds1

About (2S)-2-(3,4-dimethylphenyl)oxirane

(2S)-2-(3,4-dimethylphenyl)oxirane (PubChem CID 40580634) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenyl)oxirane
PubChem CID40580634
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(2S)-2-(3,4-dimethylphenyl)oxirane
SMILESCc1ccc([C@H]2CO2)cc1C
InChIInChI=1S/C10H12O/c1-7-3-4-9(5-8(7)2)10-6-11-10/h3-5,10H,6H2,1-2H3/t10-/m1/s1
InChIKeyGMFDVHPDGHUBBS-SNVBAGLBSA-N
XLogP2.37
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3,4-dimethylphenyl)oxirane?
The IUPAC name of (2S)-2-(3,4-dimethylphenyl)oxirane (CID 40580634) is (2S)-2-(3,4-dimethylphenyl)oxirane.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenyl)oxirane?
The canonical SMILES for (2S)-2-(3,4-dimethylphenyl)oxirane is Cc1ccc([C@H]2CO2)cc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenyl)oxirane?
The InChIKey is GMFDVHPDGHUBBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O/c1-7-3-4-9(5-8(7)2)10-6-11-10/h3-5,10H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenyl)oxirane?
(2S)-2-(3,4-dimethylphenyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenyl)oxirane is sourced from PubChem (CID 40580634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).