2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane

C12H15ClO2 — CID 116863468

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
SMILESCOc1cc(C)c(Cl)c(C)c1C1OC1C
InChIInChI=1S/C12H15ClO2/c1-6-5-9(14-4)10(7(2)11(6)13)12-8(3)15-12/h5,8,12H,1-4H3
InChIKeyBISDFCKJVMNZPE-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.43
Rot. Bonds2

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane (PubChem CID 116863468) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
PubChem CID116863468
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
SMILESCOc1cc(C)c(Cl)c(C)c1C1OC1C
InChIInChI=1S/C12H15ClO2/c1-6-5-9(14-4)10(7(2)11(6)13)12-8(3)15-12/h5,8,12H,1-4H3
InChIKeyBISDFCKJVMNZPE-UHFFFAOYSA-N
XLogP3.43
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.43
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-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
CID 116863456
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
CID 116829251
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
(2R)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
CID 165363851

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane (CID 116863468) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane is COc1cc(C)c(Cl)c(C)c1C1OC1C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane?
The InChIKey is BISDFCKJVMNZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-6-5-9(14-4)10(7(2)11(6)13)12-8(3)15-12/h5,8,12H,1-4H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane has a molecular weight of 226.70 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane is sourced from PubChem (CID 116863468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).