1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one

C11H13ClO2 — CID 84782491

IUPAC1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
SMILESCOc1cc(C)cc(Cl)c1CC(C)=O
InChIInChI=1S/C11H13ClO2/c1-7-4-10(12)9(6-8(2)13)11(5-7)14-3/h4-5H,6H2,1-3H3
InChIKeyAZKDNVGLSXPTTM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one

1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one (PubChem CID 84782491) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
PubChem CID84782491
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
SMILESCOc1cc(C)cc(Cl)c1CC(C)=O
InChIInChI=1S/C11H13ClO2/c1-7-4-10(12)9(6-8(2)13)11(5-7)14-3/h4-5H,6H2,1-3H3
InChIKeyAZKDNVGLSXPTTM-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methoxy-4-methylphenyl)-N-methylmethanamine
CID 84775565
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
CID 84797165
2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
CID 67171574
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one (CID 84782491) is 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one is COc1cc(C)cc(Cl)c1CC(C)=O.
What is the InChIKey of 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one?
The InChIKey is AZKDNVGLSXPTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-4-10(12)9(6-8(2)13)11(5-7)14-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one?
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one has a molecular weight of 212.68 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one is sourced from PubChem (CID 84782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).