2-methyl-2-(3-methylphenyl)oxirane

C10H12O — CID 62774936

IUPAC2-methyl-2-(3-methylphenyl)oxirane
SMILESCc1cccc(C2(C)CO2)c1
InChIInChI=1S/C10H12O/c1-8-4-3-5-9(6-8)10(2)7-11-10/h3-6H,7H2,1-2H3
InChIKeyAUMQUEVVOKYTPC-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.24
Rot. Bonds1

About 2-methyl-2-(3-methylphenyl)oxirane

2-methyl-2-(3-methylphenyl)oxirane (PubChem CID 62774936) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methyl-2-(3-methylphenyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(3-methylphenyl)oxirane
PubChem CID62774936
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-methyl-2-(3-methylphenyl)oxirane
SMILESCc1cccc(C2(C)CO2)c1
InChIInChI=1S/C10H12O/c1-8-4-3-5-9(6-8)10(2)7-11-10/h3-6H,7H2,1-2H3
InChIKeyAUMQUEVVOKYTPC-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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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Related Compounds

(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
CID 121230111
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
6-methyl-6-(3-methylphenyl)morpholin-3-one
CID 117159206
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
7,7-dimethyl-3-(3-methylphenyl)oxepan-3-amine
CID 122412891
2-methyl-2-(3-prop-2-enylphenyl)oxirane
CID 139993007
(2S)-2-(iodomethyl)-3,3-dimethyl-2-(3-methylphenyl)oxirane
CID 132510677
2-methyl-2-(3-methylphenyl)-1,3-dithiolane
CID 58896074
(3S)-3-(3-methylphenyl)oxolane-3-carbonitrile
CID 125063215
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
[2-(3-methylphenyl)oxetan-2-yl]methanol
CID 117258789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylphenyl)oxirane?
The IUPAC name of 2-methyl-2-(3-methylphenyl)oxirane (CID 62774936) is 2-methyl-2-(3-methylphenyl)oxirane.
What is the SMILES notation for 2-methyl-2-(3-methylphenyl)oxirane?
The canonical SMILES for 2-methyl-2-(3-methylphenyl)oxirane is Cc1cccc(C2(C)CO2)c1.
What is the InChIKey of 2-methyl-2-(3-methylphenyl)oxirane?
The InChIKey is AUMQUEVVOKYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8-4-3-5-9(6-8)10(2)7-11-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-2-(3-methylphenyl)oxirane?
2-methyl-2-(3-methylphenyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylphenyl)oxirane is sourced from PubChem (CID 62774936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).