2-chloro-6-methoxy-4-methylbenzoyl chloride

C9H8Cl2O2 — CID 171008459

IUPAC2-chloro-6-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C)cc(Cl)c1C(=O)Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-3-6(10)8(9(11)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeyQLCQJRZCWNLIJB-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-6-methoxy-4-methylbenzoyl chloride

2-chloro-6-methoxy-4-methylbenzoyl chloride (PubChem CID 171008459) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-methylbenzoyl chloride.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-methylbenzoyl chloride
PubChem CID171008459
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-chloro-6-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C)cc(Cl)c1C(=O)Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-3-6(10)8(9(11)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeyQLCQJRZCWNLIJB-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.04
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

2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
3-methoxy-5-methylphthalic acid
CID 12908895
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
CID 58299502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-methylbenzoyl chloride?
The IUPAC name of 2-chloro-6-methoxy-4-methylbenzoyl chloride (CID 171008459) is 2-chloro-6-methoxy-4-methylbenzoyl chloride.
What is the SMILES notation for 2-chloro-6-methoxy-4-methylbenzoyl chloride?
The canonical SMILES for 2-chloro-6-methoxy-4-methylbenzoyl chloride is COc1cc(C)cc(Cl)c1C(=O)Cl.
What is the InChIKey of 2-chloro-6-methoxy-4-methylbenzoyl chloride?
The InChIKey is QLCQJRZCWNLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-5-3-6(10)8(9(11)12)7(4-5)13-2/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-methylbenzoyl chloride?
2-chloro-6-methoxy-4-methylbenzoyl chloride has a molecular weight of 219.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-methylbenzoyl chloride is sourced from PubChem (CID 171008459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).