2-(5-chloro-2-methoxy-4-methylphenyl)oxirane

C10H11ClO2 — CID 82282154

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
SMILESCOc1cc(C)c(Cl)cc1C1CO1
InChIInChI=1S/C10H11ClO2/c1-6-3-9(12-2)7(4-8(6)11)10-5-13-10/h3-4,10H,5H2,1-2H3
InChIKeySZDMVTKWHFJXAA-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.73
Rot. Bonds2

About 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane

2-(5-chloro-2-methoxy-4-methylphenyl)oxirane (PubChem CID 82282154) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
PubChem CID82282154
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
SMILESCOc1cc(C)c(Cl)cc1C1CO1
InChIInChI=1S/C10H11ClO2/c1-6-3-9(12-2)7(4-8(6)11)10-5-13-10/h3-4,10H,5H2,1-2H3
InChIKeySZDMVTKWHFJXAA-UHFFFAOYSA-N
XLogP2.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.73
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

2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
CID 82282158
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
2-methoxy-5-methyl-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560285
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
CID 116863456
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane (CID 82282154) is 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane is COc1cc(C)c(Cl)cc1C1CO1.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane?
The InChIKey is SZDMVTKWHFJXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-9(12-2)7(4-8(6)11)10-5-13-10/h3-4,10H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)oxirane?
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane has a molecular weight of 198.65 g/mol, XLogP of 2.73, 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-methoxy-4-methylphenyl)oxirane is sourced from PubChem (CID 82282154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).