2-(2-chlorophenyl)-2-ethyloxirane

C10H11ClO — CID 88683538

IUPAC2-(2-chlorophenyl)-2-ethyloxirane
SMILESCCC1(c2ccccc2Cl)CO1
InChIInChI=1S/C10H11ClO/c1-2-10(7-12-10)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyKSGIGQRWSGKUJJ-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.98
Rot. Bonds2

About 2-(2-chlorophenyl)-2-ethyloxirane

2-(2-chlorophenyl)-2-ethyloxirane (PubChem CID 88683538) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-ethyloxirane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-ethyloxirane
PubChem CID88683538
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-(2-chlorophenyl)-2-ethyloxirane
SMILESCCC1(c2ccccc2Cl)CO1
InChIInChI=1S/C10H11ClO/c1-2-10(7-12-10)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyKSGIGQRWSGKUJJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.98
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-chlorophenyl)-2-ethyloxirane?
The IUPAC name of 2-(2-chlorophenyl)-2-ethyloxirane (CID 88683538) is 2-(2-chlorophenyl)-2-ethyloxirane.
What is the SMILES notation for 2-(2-chlorophenyl)-2-ethyloxirane?
The canonical SMILES for 2-(2-chlorophenyl)-2-ethyloxirane is CCC1(c2ccccc2Cl)CO1.
What is the InChIKey of 2-(2-chlorophenyl)-2-ethyloxirane?
The InChIKey is KSGIGQRWSGKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-2-10(7-12-10)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-ethyloxirane?
2-(2-chlorophenyl)-2-ethyloxirane has a molecular weight of 182.65 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-ethyloxirane is sourced from PubChem (CID 88683538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).