5-bromo-4-methoxy-2-methylbenzoyl chloride

C9H8BrClO2 — CID 156551908

IUPAC5-bromo-4-methoxy-2-methylbenzoyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3
InChIKeyJFSFLRIPMXLUTB-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.15
Rot. Bonds2

About 5-bromo-4-methoxy-2-methylbenzoyl chloride

5-bromo-4-methoxy-2-methylbenzoyl chloride (PubChem CID 156551908) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-methylbenzoyl chloride.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-methylbenzoyl chloride
PubChem CID156551908
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name5-bromo-4-methoxy-2-methylbenzoyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3
InChIKeyJFSFLRIPMXLUTB-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-bromo-4-methoxy-2-methylbenzoyl chloride 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

4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
5-bromo-2-fluoro-4-methoxybenzoyl chloride;ethyl 3-(5-bromo-2-fluoro-4-methoxyphenyl)-3-oxopropanoate
CID 158306451
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-methylbenzoyl chloride?
The IUPAC name of 5-bromo-4-methoxy-2-methylbenzoyl chloride (CID 156551908) is 5-bromo-4-methoxy-2-methylbenzoyl chloride.
What is the SMILES notation for 5-bromo-4-methoxy-2-methylbenzoyl chloride?
The canonical SMILES for 5-bromo-4-methoxy-2-methylbenzoyl chloride is COc1cc(C)c(C(=O)Cl)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-methylbenzoyl chloride?
The InChIKey is JFSFLRIPMXLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-5-3-8(13-2)7(10)4-6(5)9(11)12/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-methoxy-2-methylbenzoyl chloride?
5-bromo-4-methoxy-2-methylbenzoyl chloride has a molecular weight of 263.52 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-methylbenzoyl chloride is sourced from PubChem (CID 156551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).