2-[(2-benzyl-4-methylphenyl)methyl]oxirane

C17H18O — CID 156845809

IUPAC2-[(2-benzyl-4-methylphenyl)methyl]oxirane
SMILESCc1ccc(CC2CO2)c(Cc2ccccc2)c1
InChIInChI=1S/C17H18O/c1-13-7-8-15(11-17-12-18-17)16(9-13)10-14-5-3-2-4-6-14/h2-9,17H,10-12H2,1H3
InChIKeyCXOLCRCUXOTRAT-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.53
Rot. Bonds4

About 2-[(2-benzyl-4-methylphenyl)methyl]oxirane

2-[(2-benzyl-4-methylphenyl)methyl]oxirane (PubChem CID 156845809) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2-benzyl-4-methylphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-benzyl-4-methylphenyl)methyl]oxirane
PubChem CID156845809
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-[(2-benzyl-4-methylphenyl)methyl]oxirane
SMILESCc1ccc(CC2CO2)c(Cc2ccccc2)c1
InChIInChI=1S/C17H18O/c1-13-7-8-15(11-17-12-18-17)16(9-13)10-14-5-3-2-4-6-14/h2-9,17H,10-12H2,1H3
InChIKeyCXOLCRCUXOTRAT-UHFFFAOYSA-N
XLogP3.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.53
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-benzyl-4-methylphenyl)methyl]oxirane?
The IUPAC name of 2-[(2-benzyl-4-methylphenyl)methyl]oxirane (CID 156845809) is 2-[(2-benzyl-4-methylphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2-benzyl-4-methylphenyl)methyl]oxirane?
The canonical SMILES for 2-[(2-benzyl-4-methylphenyl)methyl]oxirane is Cc1ccc(CC2CO2)c(Cc2ccccc2)c1.
What is the InChIKey of 2-[(2-benzyl-4-methylphenyl)methyl]oxirane?
The InChIKey is CXOLCRCUXOTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13-7-8-15(11-17-12-18-17)16(9-13)10-14-5-3-2-4-6-14/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-[(2-benzyl-4-methylphenyl)methyl]oxirane?
2-[(2-benzyl-4-methylphenyl)methyl]oxirane has a molecular weight of 238.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-4-methylphenyl)methyl]oxirane is sourced from PubChem (CID 156845809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).