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

C10H12O — CID 72951776

IUPAC2-methyl-3-(3-methylphenyl)oxirane
SMILESCc1cccc(C2OC2C)c1
InChIInChI=1S/C10H12O/c1-7-4-3-5-9(6-7)10-8(2)11-10/h3-6,8,10H,1-2H3
InChIKeyQJHJKFWTGHYPPJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.45
Rot. Bonds1

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

2-methyl-3-(3-methylphenyl)oxirane (PubChem CID 72951776) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)oxirane
PubChem CID72951776
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-methyl-3-(3-methylphenyl)oxirane
SMILESCc1cccc(C2OC2C)c1
InChIInChI=1S/C10H12O/c1-7-4-3-5-9(6-7)10-8(2)11-10/h3-6,8,10H,1-2H3
InChIKeyQJHJKFWTGHYPPJ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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 2-methyl-3-(3-methylphenyl)oxirane?
The IUPAC name of 2-methyl-3-(3-methylphenyl)oxirane (CID 72951776) is 2-methyl-3-(3-methylphenyl)oxirane.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)oxirane?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)oxirane is Cc1cccc(C2OC2C)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)oxirane?
The InChIKey is QJHJKFWTGHYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-4-3-5-9(6-7)10-8(2)11-10/h3-6,8,10H,1-2H3.
What are the key properties of 2-methyl-3-(3-methylphenyl)oxirane?
2-methyl-3-(3-methylphenyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylphenyl)oxirane is sourced from PubChem (CID 72951776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).