4-methoxy-2,6-dimethylbenzoyl chloride

C10H11ClO2 — CID 12624144

IUPAC4-methoxy-2,6-dimethylbenzoyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)c(C)c1
InChIInChI=1S/C10H11ClO2/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3
InChIKeyYKHBJCXCWQPKCM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.69
Rot. Bonds2

About 4-methoxy-2,6-dimethylbenzoyl chloride

4-methoxy-2,6-dimethylbenzoyl chloride (PubChem CID 12624144) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethylbenzoyl chloride.

Molecular Properties

Compound Name4-methoxy-2,6-dimethylbenzoyl chloride
PubChem CID12624144
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name4-methoxy-2,6-dimethylbenzoyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)c(C)c1
InChIInChI=1S/C10H11ClO2/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3
InChIKeyYKHBJCXCWQPKCM-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.69
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-4-methoxy-6-methylbenzoyl chloride
CID 171004487
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
2-chloro-1-(4-methoxy-2,6-dimethylphenyl)propan-1-one
CID 82048974
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-bromo-5-methoxy-3-methylbenzoyl chloride
CID 171004545
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethylbenzoyl chloride?
The IUPAC name of 4-methoxy-2,6-dimethylbenzoyl chloride (CID 12624144) is 4-methoxy-2,6-dimethylbenzoyl chloride.
What is the SMILES notation for 4-methoxy-2,6-dimethylbenzoyl chloride?
The canonical SMILES for 4-methoxy-2,6-dimethylbenzoyl chloride is COc1cc(C)c(C(=O)Cl)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethylbenzoyl chloride?
The InChIKey is YKHBJCXCWQPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethylbenzoyl chloride?
4-methoxy-2,6-dimethylbenzoyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethylbenzoyl chloride is sourced from PubChem (CID 12624144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).