2-(2,4-dimethylphenyl)oxirane

C10H12O — CID 15203042

IUPAC2-(2,4-dimethylphenyl)oxirane
SMILESCc1ccc(C2CO2)c(C)c1
InChIInChI=1S/C10H12O/c1-7-3-4-9(8(2)5-7)10-6-11-10/h3-5,10H,6H2,1-2H3
InChIKeyYPZGLFAPPDVLFY-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.37
Rot. Bonds1

About 2-(2,4-dimethylphenyl)oxirane

2-(2,4-dimethylphenyl)oxirane (PubChem CID 15203042) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)oxirane.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)oxirane
PubChem CID15203042
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-(2,4-dimethylphenyl)oxirane
SMILESCc1ccc(C2CO2)c(C)c1
InChIInChI=1S/C10H12O/c1-7-3-4-9(8(2)5-7)10-6-11-10/h3-5,10H,6H2,1-2H3
InChIKeyYPZGLFAPPDVLFY-UHFFFAOYSA-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 2-(2,4-dimethylphenyl)oxirane?
The IUPAC name of 2-(2,4-dimethylphenyl)oxirane (CID 15203042) is 2-(2,4-dimethylphenyl)oxirane.
What is the SMILES notation for 2-(2,4-dimethylphenyl)oxirane?
The canonical SMILES for 2-(2,4-dimethylphenyl)oxirane is Cc1ccc(C2CO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)oxirane?
The InChIKey is YPZGLFAPPDVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-3-4-9(8(2)5-7)10-6-11-10/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)oxirane?
2-(2,4-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 2-(2,4-dimethylphenyl)oxirane is sourced from PubChem (CID 15203042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).