(2S)-2-(2-chloro-4-methoxyphenyl)oxirane

C9H9ClO2 — CID 95436380

IUPAC(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2CO2)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-11-6-2-3-7(8(10)4-6)9-5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyHIJQEZSYSDEVTM-SECBINFHSA-N
MW184.62 g/mol
LogP2.42
Rot. Bonds2

About (2S)-2-(2-chloro-4-methoxyphenyl)oxirane

(2S)-2-(2-chloro-4-methoxyphenyl)oxirane (PubChem CID 95436380) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
PubChem CID95436380
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2CO2)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-11-6-2-3-7(8(10)4-6)9-5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyHIJQEZSYSDEVTM-SECBINFHSA-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'}

Analyze (2S)-2-(2-chloro-4-methoxyphenyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((4-Methoxyphenyl)methyl)oxirane
CID 40004
3-Chloro-2-methylanisole
CID 76749
2-(4-Methoxyphenyl)oxirane
CID 98048
2-Chloro-4-methoxytoluene
CID 6951757
2-(4-Methoxyphenyl)-3-methyloxirane
CID 148535
1-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 15578704
Anethole oxide
CID 10080713
1-[(Chloromethoxy)methyl]-4-methoxybenzene
CID 10921254
(2,6-Dichloro-4-methoxyphenyl)methanol
CID 14484725
1-Methoxy-1-p-methoxyphenylprop-2-ene
CID 14594939
1-Chloro-2-(chloromethyl)-3-methoxybenzene
CID 13058270
(2-Chloro-4-methoxyphenyl)methanol
CID 14771756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-methoxyphenyl)oxirane?
The IUPAC name of (2S)-2-(2-chloro-4-methoxyphenyl)oxirane (CID 95436380) is (2S)-2-(2-chloro-4-methoxyphenyl)oxirane.
What is the SMILES notation for (2S)-2-(2-chloro-4-methoxyphenyl)oxirane?
The canonical SMILES for (2S)-2-(2-chloro-4-methoxyphenyl)oxirane is COc1ccc([C@H]2CO2)c(Cl)c1.
What is the InChIKey of (2S)-2-(2-chloro-4-methoxyphenyl)oxirane?
The InChIKey is HIJQEZSYSDEVTM-SECBINFHSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-11-6-2-3-7(8(10)4-6)9-5-12-9/h2-4,9H,5H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2-chloro-4-methoxyphenyl)oxirane?
(2S)-2-(2-chloro-4-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 (2S)-2-(2-chloro-4-methoxyphenyl)oxirane is sourced from PubChem (CID 95436380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).