(2R)-2-(3,4-dichlorophenyl)oxirane

C8H6Cl2O — CID 10352473

IUPAC(2R)-2-(3,4-dichlorophenyl)oxirane
SMILESClc1ccc([C@@H]2CO2)cc1Cl
InChIInChI=1S/C8H6Cl2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m0/s1
InChIKeyHIOFHWTUAOODBJ-QMMMGPOBSA-N
MW189.04 g/mol
LogP3.06
Rot. Bonds1

About (2R)-2-(3,4-dichlorophenyl)oxirane

(2R)-2-(3,4-dichlorophenyl)oxirane (PubChem CID 10352473) has the molecular formula C8H6Cl2O and a molecular weight of 189.04 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)oxirane
PubChem CID10352473
Molecular FormulaC8H6Cl2O
Molecular Weight189.04 g/mol
Exact Mass187.98
IUPAC Name(2R)-2-(3,4-dichlorophenyl)oxirane
SMILESClc1ccc([C@@H]2CO2)cc1Cl
InChIInChI=1S/C8H6Cl2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m0/s1
InChIKeyHIOFHWTUAOODBJ-QMMMGPOBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)oxirane?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)oxirane (CID 10352473) is (2R)-2-(3,4-dichlorophenyl)oxirane.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)oxirane?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)oxirane is Clc1ccc([C@@H]2CO2)cc1Cl.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)oxirane?
The InChIKey is HIOFHWTUAOODBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6Cl2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m0/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)oxirane?
(2R)-2-(3,4-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 (2R)-2-(3,4-dichlorophenyl)oxirane is sourced from PubChem (CID 10352473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).