1-(3-chloro-4-methoxy-2-methylphenyl)ethanone

C10H11ClO2 — CID 171007729

IUPAC1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(C)c1Cl
InChIInChI=1S/C10H11ClO2/c1-6-8(7(2)12)4-5-9(13-3)10(6)11/h4-5H,1-3H3
InChIKeyAAYYJQCJRZDNHQ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.86
Rot. Bonds2

About 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone

1-(3-chloro-4-methoxy-2-methylphenyl)ethanone (PubChem CID 171007729) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
PubChem CID171007729
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(C)c1Cl
InChIInChI=1S/C10H11ClO2/c1-6-8(7(2)12)4-5-9(13-3)10(6)11/h4-5H,1-3H3
InChIKeyAAYYJQCJRZDNHQ-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
CID 70285532
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
4-(2-chloro-4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 21483945
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
2-iodo-4-methoxy-3-methylbenzoyl chloride
CID 171011084
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone (CID 171007729) is 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone is COc1ccc(C(C)=O)c(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone?
The InChIKey is AAYYJQCJRZDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-8(7(2)12)4-5-9(13-3)10(6)11/h4-5H,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone?
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone has a molecular weight of 198.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 171007729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).