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

C10H10BrClO2 — CID 50883137

IUPAC5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
SMILESCOc1c(C(=O)Cl)cc(Br)c(C)c1C
InChIInChI=1S/C10H10BrClO2/c1-5-6(2)9(14-3)7(10(12)13)4-8(5)11/h4H,1-3H3
InChIKeyUVZUEWWXGORJJD-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride

5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride (PubChem CID 50883137) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride.

Molecular Properties

Compound Name5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
PubChem CID50883137
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
SMILESCOc1c(C(=O)Cl)cc(Br)c(C)c1C
InChIInChI=1S/C10H10BrClO2/c1-5-6(2)9(14-3)7(10(12)13)4-8(5)11/h4H,1-3H3
InChIKeyUVZUEWWXGORJJD-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'}

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Related Compounds

4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
3,5-dibromo-2-methylbenzoyl chloride
CID 171002957
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
2-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-2-oxoacetic acid
CID 117469922
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549
3-cyano-2-methoxy-5-methylbenzoyl chloride
CID 171026795
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164
2-bromo-5-methoxy-3-methylbenzoyl chloride
CID 171004545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride?
The IUPAC name of 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride (CID 50883137) is 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride.
What is the SMILES notation for 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride?
The canonical SMILES for 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride is COc1c(C(=O)Cl)cc(Br)c(C)c1C.
What is the InChIKey of 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride?
The InChIKey is UVZUEWWXGORJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-5-6(2)9(14-3)7(10(12)13)4-8(5)11/h4H,1-3H3.
What are the key properties of 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride?
5-bromo-2-methoxy-3,4-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 5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride is sourced from PubChem (CID 50883137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).