1-(4-chloro-2,3-dimethoxyphenyl)ethanone

C10H11ClO3 — CID 84680566

IUPAC1-(4-chloro-2,3-dimethoxyphenyl)ethanone
SMILESCOc1c(Cl)ccc(C(C)=O)c1OC
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(11)10(14-3)9(7)13-2/h4-5H,1-3H3
InChIKeyFYWXTQDRWZOYEW-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-chloro-2,3-dimethoxyphenyl)ethanone

1-(4-chloro-2,3-dimethoxyphenyl)ethanone (PubChem CID 84680566) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,3-dimethoxyphenyl)ethanone
PubChem CID84680566
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-(4-chloro-2,3-dimethoxyphenyl)ethanone
SMILESCOc1c(Cl)ccc(C(C)=O)c1OC
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(11)10(14-3)9(7)13-2/h4-5H,1-3H3
InChIKeyFYWXTQDRWZOYEW-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2,3-dimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 118827634
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022302
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
2-acetyl-4-chloro-3-methoxybenzaldehyde
CID 171002186
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
CID 18388441
3-amino-4-chloro-2-methoxybenzoic acid
CID 84670289
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2,3-dimethoxyphenyl)ethanone (CID 84680566) is 1-(4-chloro-2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2,3-dimethoxyphenyl)ethanone is COc1c(Cl)ccc(C(C)=O)c1OC.
What is the InChIKey of 1-(4-chloro-2,3-dimethoxyphenyl)ethanone?
The InChIKey is FYWXTQDRWZOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(11)10(14-3)9(7)13-2/h4-5H,1-3H3.
What are the key properties of 1-(4-chloro-2,3-dimethoxyphenyl)ethanone?
1-(4-chloro-2,3-dimethoxyphenyl)ethanone has a molecular weight of 214.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84680566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).