3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride

C10H10BrClO2 — CID 50883161

IUPAC3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
SMILESCOc1cc(C)c(Br)c(C)c1C(=O)Cl
InChIInChI=1S/C10H10BrClO2/c1-5-4-7(14-3)8(10(12)13)6(2)9(5)11/h4H,1-3H3
InChIKeyATUPGVSBJOLAHB-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride

3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride (PubChem CID 50883161) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride.

Molecular Properties

Compound Name3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
PubChem CID50883161
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
SMILESCOc1cc(C)c(Br)c(C)c1C(=O)Cl
InChIInChI=1S/C10H10BrClO2/c1-5-4-7(14-3)8(10(12)13)6(2)9(5)11/h4H,1-3H3
InChIKeyATUPGVSBJOLAHB-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-6-methoxy-2,4-dimethylbenzoyl 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

methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
2-bromo-4-methoxy-6-methylbenzoyl chloride
CID 171004487
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
2-bromo-5-methoxy-3-methylbenzoyl chloride
CID 171004545
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride?
The IUPAC name of 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride (CID 50883161) is 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride.
What is the SMILES notation for 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride?
The canonical SMILES for 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride is COc1cc(C)c(Br)c(C)c1C(=O)Cl.
What is the InChIKey of 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride?
The InChIKey is ATUPGVSBJOLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-5-4-7(14-3)8(10(12)13)6(2)9(5)11/h4H,1-3H3.
What are the key properties of 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride?
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride has a molecular weight of 277.55 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride is sourced from PubChem (CID 50883161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).