2-(4-methylphenyl)-3-phenyloxirane

C15H14O — CID 602487

IUPAC2-(4-methylphenyl)-3-phenyloxirane
SMILESCc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-11-7-9-13(10-8-11)15-14(16-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKeyJAWOIWRBSDJRCX-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.81
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyloxirane

2-(4-methylphenyl)-3-phenyloxirane (PubChem CID 602487) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyloxirane
PubChem CID602487
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2-(4-methylphenyl)-3-phenyloxirane
SMILESCc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-11-7-9-13(10-8-11)15-14(16-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKeyJAWOIWRBSDJRCX-UHFFFAOYSA-N
XLogP3.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.81
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-(4-methylphenyl)-3-phenyloxirane?
The IUPAC name of 2-(4-methylphenyl)-3-phenyloxirane (CID 602487) is 2-(4-methylphenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyloxirane?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyloxirane is Cc1ccc(C2OC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyloxirane?
The InChIKey is JAWOIWRBSDJRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-7-9-13(10-8-11)15-14(16-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyloxirane?
2-(4-methylphenyl)-3-phenyloxirane has a molecular weight of 210.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyloxirane is sourced from PubChem (CID 602487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).