2-bromo-5-methoxy-3-methylbenzoyl chloride

C9H8BrClO2 — CID 171004545

IUPAC2-bromo-5-methoxy-3-methylbenzoyl chloride
SMILESCOc1cc(C)c(Br)c(C(=O)Cl)c1
InChIInChI=1S/C9H8BrClO2/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,1-2H3
InChIKeyKILMRRCZJUTRSO-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.15
Rot. Bonds2

About 2-bromo-5-methoxy-3-methylbenzoyl chloride

2-bromo-5-methoxy-3-methylbenzoyl chloride (PubChem CID 171004545) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 2-bromo-5-methoxy-3-methylbenzoyl chloride.

Molecular Properties

Compound Name2-bromo-5-methoxy-3-methylbenzoyl chloride
PubChem CID171004545
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name2-bromo-5-methoxy-3-methylbenzoyl chloride
SMILESCOc1cc(C)c(Br)c(C(=O)Cl)c1
InChIInChI=1S/C9H8BrClO2/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,1-2H3
InChIKeyKILMRRCZJUTRSO-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'}

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Related Compounds

2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
2-bromo-4-methoxy-6-methylbenzoyl chloride
CID 171004487
3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
CID 84809538
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
3-methoxy-5-methylnaphthalene-1-carbonyl chloride
CID 11075375
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-3-methylbenzoyl chloride?
The IUPAC name of 2-bromo-5-methoxy-3-methylbenzoyl chloride (CID 171004545) is 2-bromo-5-methoxy-3-methylbenzoyl chloride.
What is the SMILES notation for 2-bromo-5-methoxy-3-methylbenzoyl chloride?
The canonical SMILES for 2-bromo-5-methoxy-3-methylbenzoyl chloride is COc1cc(C)c(Br)c(C(=O)Cl)c1.
What is the InChIKey of 2-bromo-5-methoxy-3-methylbenzoyl chloride?
The InChIKey is KILMRRCZJUTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,1-2H3.
What are the key properties of 2-bromo-5-methoxy-3-methylbenzoyl chloride?
2-bromo-5-methoxy-3-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 2-bromo-5-methoxy-3-methylbenzoyl chloride is sourced from PubChem (CID 171004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).