2-(4-chlorophenyl)-3-phenyloxirane

C14H11ClO — CID 608511

IUPAC2-(4-chlorophenyl)-3-phenyloxirane
SMILESClc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11ClO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyAWZJRRBGXZWVOY-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.15
Rot. Bonds2

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

2-(4-chlorophenyl)-3-phenyloxirane (PubChem CID 608511) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyloxirane
PubChem CID608511
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-(4-chlorophenyl)-3-phenyloxirane
SMILESClc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11ClO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyAWZJRRBGXZWVOY-UHFFFAOYSA-N
XLogP4.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.15
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-chlorophenyl)-3-phenyloxirane?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyloxirane (CID 608511) is 2-(4-chlorophenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyloxirane?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyloxirane is Clc1ccc(C2OC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyloxirane?
The InChIKey is AWZJRRBGXZWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H.
What are the key properties of 2-(4-chlorophenyl)-3-phenyloxirane?
2-(4-chlorophenyl)-3-phenyloxirane has a molecular weight of 230.69 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyloxirane is sourced from PubChem (CID 608511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).