2-(5-chloro-2-methoxyphenyl)oxirane

C9H9ClO2 — CID 82075180

IUPAC2-(5-chloro-2-methoxyphenyl)oxirane
SMILESCOc1ccc(Cl)cc1C1CO1
InChIInChI=1S/C9H9ClO2/c1-11-8-3-2-6(10)4-7(8)9-5-12-9/h2-4,9H,5H2,1H3
InChIKeyWSNGHVJAFNQEJQ-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.42
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)oxirane

2-(5-chloro-2-methoxyphenyl)oxirane (PubChem CID 82075180) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)oxirane.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)oxirane
PubChem CID82075180
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-(5-chloro-2-methoxyphenyl)oxirane
SMILESCOc1ccc(Cl)cc1C1CO1
InChIInChI=1S/C9H9ClO2/c1-11-8-3-2-6(10)4-7(8)9-5-12-9/h2-4,9H,5H2,1H3
InChIKeyWSNGHVJAFNQEJQ-UHFFFAOYSA-N
XLogP2.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 161270720
CID 161270720
4-(5-chloro-2-methoxyphenyl)-1,3-oxazolidine
CID 175424496
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
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4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
(2S)-2-(5-chloro-2-methoxyphenyl)pyrrolidin-1-ium
CID 7047874
2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
CID 82282158
2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
CID 82305740
(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)oxirane?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)oxirane (CID 82075180) is 2-(5-chloro-2-methoxyphenyl)oxirane.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)oxirane?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)oxirane is COc1ccc(Cl)cc1C1CO1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)oxirane?
The InChIKey is WSNGHVJAFNQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-11-8-3-2-6(10)4-7(8)9-5-12-9/h2-4,9H,5H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)oxirane?
2-(5-chloro-2-methoxyphenyl)oxirane has a molecular weight of 184.62 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)oxirane is sourced from PubChem (CID 82075180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).