4,5-dimethoxy-2-methylbenzoyl bromide

C10H11BrO3 — CID 116924582

IUPAC4,5-dimethoxy-2-methylbenzoyl bromide
SMILESCOc1cc(C)c(C(=O)Br)cc1OC
InChIInChI=1S/C10H11BrO3/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3
InChIKeyCAWQPRJPXYAVOZ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.55
Rot. Bonds3

About 4,5-dimethoxy-2-methylbenzoyl bromide

4,5-dimethoxy-2-methylbenzoyl bromide (PubChem CID 116924582) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylbenzoyl bromide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylbenzoyl bromide
PubChem CID116924582
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name4,5-dimethoxy-2-methylbenzoyl bromide
SMILESCOc1cc(C)c(C(=O)Br)cc1OC
InChIInChI=1S/C10H11BrO3/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3
InChIKeyCAWQPRJPXYAVOZ-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
1-(4,5-dimethoxy-2-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920399
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4,5-dimethoxy-2-methylphenyl)butane-1,3-dione
CID 116919445
3-chloro-1-(4,5-dimethoxy-2-methylphenyl)propane-1,2-dione
CID 116822662
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
3-amino-1-(4,5-dimethoxy-2-methylphenyl)butan-1-one
CID 116915618

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methylbenzoyl bromide?
The IUPAC name of 4,5-dimethoxy-2-methylbenzoyl bromide (CID 116924582) is 4,5-dimethoxy-2-methylbenzoyl bromide.
What is the SMILES notation for 4,5-dimethoxy-2-methylbenzoyl bromide?
The canonical SMILES for 4,5-dimethoxy-2-methylbenzoyl bromide is COc1cc(C)c(C(=O)Br)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methylbenzoyl bromide?
The InChIKey is CAWQPRJPXYAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methylbenzoyl bromide?
4,5-dimethoxy-2-methylbenzoyl bromide has a molecular weight of 259.10 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylbenzoyl bromide is sourced from PubChem (CID 116924582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).