2-(2,4-dichlorophenyl)-3-phenyloxirane

C14H10Cl2O — CID 86087520

IUPAC2-(2,4-dichlorophenyl)-3-phenyloxirane
SMILESClc1ccc(C2OC2c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H10Cl2O/c15-10-6-7-11(12(16)8-10)14-13(17-14)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyIKXIHDHUYQCREX-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.81
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3-phenyloxirane

2-(2,4-dichlorophenyl)-3-phenyloxirane (PubChem CID 86087520) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-phenyloxirane
PubChem CID86087520
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name2-(2,4-dichlorophenyl)-3-phenyloxirane
SMILESClc1ccc(C2OC2c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H10Cl2O/c15-10-6-7-11(12(16)8-10)14-13(17-14)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyIKXIHDHUYQCREX-UHFFFAOYSA-N
XLogP4.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.81
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-(2,4-dichlorophenyl)-3-phenyloxirane?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-phenyloxirane (CID 86087520) is 2-(2,4-dichlorophenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-phenyloxirane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-phenyloxirane is Clc1ccc(C2OC2c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-phenyloxirane?
The InChIKey is IKXIHDHUYQCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c15-10-6-7-11(12(16)8-10)14-13(17-14)9-4-2-1-3-5-9/h1-8,13-14H.
What are the key properties of 2-(2,4-dichlorophenyl)-3-phenyloxirane?
2-(2,4-dichlorophenyl)-3-phenyloxirane has a molecular weight of 265.14 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-phenyloxirane is sourced from PubChem (CID 86087520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).