2-(2,3-dichlorophenyl)oxirane

C8H6Cl2O — CID 18672511

IUPAC2-(2,3-dichlorophenyl)oxirane
SMILESClc1cccc(C2CO2)c1Cl
InChIInChI=1S/C8H6Cl2O/c9-6-3-1-2-5(8(6)10)7-4-11-7/h1-3,7H,4H2
InChIKeyJSSIVJGRLZMOJX-UHFFFAOYSA-N
MW189.04 g/mol
LogP3.06
Rot. Bonds1

About 2-(2,3-dichlorophenyl)oxirane

2-(2,3-dichlorophenyl)oxirane (PubChem CID 18672511) has the molecular formula C8H6Cl2O and a molecular weight of 189.04 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)oxirane.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)oxirane
PubChem CID18672511
Molecular FormulaC8H6Cl2O
Molecular Weight189.04 g/mol
Exact Mass187.98
IUPAC Name2-(2,3-dichlorophenyl)oxirane
SMILESClc1cccc(C2CO2)c1Cl
InChIInChI=1S/C8H6Cl2O/c9-6-3-1-2-5(8(6)10)7-4-11-7/h1-3,7H,4H2
InChIKeyJSSIVJGRLZMOJX-UHFFFAOYSA-N
XLogP3.06
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(2,3-dichlorophenyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)oxirane?
The IUPAC name of 2-(2,3-dichlorophenyl)oxirane (CID 18672511) is 2-(2,3-dichlorophenyl)oxirane.
What is the SMILES notation for 2-(2,3-dichlorophenyl)oxirane?
The canonical SMILES for 2-(2,3-dichlorophenyl)oxirane is Clc1cccc(C2CO2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)oxirane?
The InChIKey is JSSIVJGRLZMOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O/c9-6-3-1-2-5(8(6)10)7-4-11-7/h1-3,7H,4H2.
What are the key properties of 2-(2,3-dichlorophenyl)oxirane?
2-(2,3-dichlorophenyl)oxirane has a molecular weight of 189.04 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)oxirane is sourced from PubChem (CID 18672511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).