2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane

C11H13ClO2 — CID 116863456

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
SMILESCOc1cc(C)c(C2OC2C)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-6-4-10(13-3)9(12)5-8(6)11-7(2)14-11/h4-5,7,11H,1-3H3
InChIKeyREQFVEPVFMPWLE-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.12
Rot. Bonds2

About 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane

2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane (PubChem CID 116863456) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
PubChem CID116863456
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
SMILESCOc1cc(C)c(C2OC2C)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-6-4-10(13-3)9(12)5-8(6)11-7(2)14-11/h4-5,7,11H,1-3H3
InChIKeyREQFVEPVFMPWLE-UHFFFAOYSA-N
XLogP3.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.12
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)-3-methyloxirane
CID 116863468
(2R)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
CID 165363851
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
2-(5-chloro-4-methoxy-2-methylphenyl)-1,4-dimethylpiperazine
CID 116856400
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
4-chloro-5-methoxy-2-methylphenol
CID 21341377

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane (CID 116863456) is 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane is COc1cc(C)c(C2OC2C)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane?
The InChIKey is REQFVEPVFMPWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-6-4-10(13-3)9(12)5-8(6)11-7(2)14-11/h4-5,7,11H,1-3H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane?
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane has a molecular weight of 212.68 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane is sourced from PubChem (CID 116863456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).