2-(3-chlorophenyl)-2-methyloxirane

C9H9ClO — CID 62773763

IUPAC2-(3-chlorophenyl)-2-methyloxirane
SMILESCC1(c2cccc(Cl)c2)CO1
InChIInChI=1S/C9H9ClO/c1-9(6-11-9)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKeyUXLHFQKFWDEHNQ-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.59
Rot. Bonds1

About 2-(3-chlorophenyl)-2-methyloxirane

2-(3-chlorophenyl)-2-methyloxirane (PubChem CID 62773763) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyloxirane
PubChem CID62773763
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name2-(3-chlorophenyl)-2-methyloxirane
SMILESCC1(c2cccc(Cl)c2)CO1
InChIInChI=1S/C9H9ClO/c1-9(6-11-9)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKeyUXLHFQKFWDEHNQ-UHFFFAOYSA-N
XLogP2.59
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.59
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-(3-chlorophenyl)-2-methyloxirane?
The IUPAC name of 2-(3-chlorophenyl)-2-methyloxirane (CID 62773763) is 2-(3-chlorophenyl)-2-methyloxirane.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyloxirane?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyloxirane is CC1(c2cccc(Cl)c2)CO1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyloxirane?
The InChIKey is UXLHFQKFWDEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-9(6-11-9)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-methyloxirane?
2-(3-chlorophenyl)-2-methyloxirane has a molecular weight of 168.62 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyloxirane is sourced from PubChem (CID 62773763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).