2-methoxy-4,5-dimethylbenzoyl bromide

C10H11BrO2 — CID 116924546

IUPAC2-methoxy-4,5-dimethylbenzoyl bromide
SMILESCOc1cc(C)c(C)cc1C(=O)Br
InChIInChI=1S/C10H11BrO2/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3
InChIKeyCZKROWPFRVQGRY-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.85
Rot. Bonds2

About 2-methoxy-4,5-dimethylbenzoyl bromide

2-methoxy-4,5-dimethylbenzoyl bromide (PubChem CID 116924546) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethylbenzoyl bromide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethylbenzoyl bromide
PubChem CID116924546
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-methoxy-4,5-dimethylbenzoyl bromide
SMILESCOc1cc(C)c(C)cc1C(=O)Br
InChIInChI=1S/C10H11BrO2/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3
InChIKeyCZKROWPFRVQGRY-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.85
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

4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
2-methoxy-4,5-dimethylbenzoyl cyanide
CID 116918953
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
methyl 2-(2-methoxy-4,5-dimethylphenyl)-2-oxoacetate
CID 82114608
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
CID 116920372
2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
CID 82283268
3-(dimethylamino)-1-(2-methoxy-4,5-dimethylphenyl)prop-2-yn-1-one
CID 116825467
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
2-bromo-3-chloro-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82124813
1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129212
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethylbenzoyl bromide?
The IUPAC name of 2-methoxy-4,5-dimethylbenzoyl bromide (CID 116924546) is 2-methoxy-4,5-dimethylbenzoyl bromide.
What is the SMILES notation for 2-methoxy-4,5-dimethylbenzoyl bromide?
The canonical SMILES for 2-methoxy-4,5-dimethylbenzoyl bromide is COc1cc(C)c(C)cc1C(=O)Br.
What is the InChIKey of 2-methoxy-4,5-dimethylbenzoyl bromide?
The InChIKey is CZKROWPFRVQGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethylbenzoyl bromide?
2-methoxy-4,5-dimethylbenzoyl bromide has a molecular weight of 243.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethylbenzoyl bromide is sourced from PubChem (CID 116924546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).