1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone

C10H10BrClO3 — CID 117473741

IUPAC1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
SMILESCOc1c(Br)cc(Cl)c(C(C)=O)c1OC
InChIInChI=1S/C10H10BrClO3/c1-5(13)8-7(12)4-6(11)9(14-2)10(8)15-3/h4H,1-3H3
InChIKeyFDLFRDWABWOMOD-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone

1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone (PubChem CID 117473741) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
PubChem CID117473741
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
SMILESCOc1c(Br)cc(Cl)c(C(C)=O)c1OC
InChIInChI=1S/C10H10BrClO3/c1-5(13)8-7(12)4-6(11)9(14-2)10(8)15-3/h4H,1-3H3
InChIKeyFDLFRDWABWOMOD-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-6-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-(3-bromo-2,5-dichloro-6-methoxyphenyl)ethanone;1-(3,6-dichloro-2-methoxyphenyl)ethanone
CID 158928110
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399366
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10641823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone (CID 117473741) is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone is COc1c(Br)cc(Cl)c(C(C)=O)c1OC.
What is the InChIKey of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone?
The InChIKey is FDLFRDWABWOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-5(13)8-7(12)4-6(11)9(14-2)10(8)15-3/h4H,1-3H3.
What are the key properties of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone?
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone has a molecular weight of 293.54 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 117473741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).