2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane

C12H12Cl2O — CID 10857676

IUPAC2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane
SMILESClc1ccccc1CC1(C2(Cl)CC2)CO1
InChIInChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2
InChIKeyIKKKLHQSHUAIMM-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.42
Rot. Bonds3

About 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane

2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane (PubChem CID 10857676) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane.

Molecular Properties

Compound Name2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane
PubChem CID10857676
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane
SMILESClc1ccccc1CC1(C2(Cl)CC2)CO1
InChIInChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2
InChIKeyIKKKLHQSHUAIMM-UHFFFAOYSA-N
XLogP3.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane?
The IUPAC name of 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane (CID 10857676) is 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane.
What is the SMILES notation for 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane?
The canonical SMILES for 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane is Clc1ccccc1CC1(C2(Cl)CC2)CO1.
What is the InChIKey of 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane?
The InChIKey is IKKKLHQSHUAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2.
What are the key properties of 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane?
2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane has a molecular weight of 243.13 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane is sourced from PubChem (CID 10857676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).