4-chloro-2,6-dimethoxybenzoyl chloride

C9H8Cl2O3 — CID 21317234

IUPAC4-chloro-2,6-dimethoxybenzoyl chloride
SMILESCOc1cc(Cl)cc(OC)c1C(=O)Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3
InChIKeyNQLTXVOCSGVEFV-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2,6-dimethoxybenzoyl chloride

4-chloro-2,6-dimethoxybenzoyl chloride (PubChem CID 21317234) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 4-chloro-2,6-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name4-chloro-2,6-dimethoxybenzoyl chloride
PubChem CID21317234
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name4-chloro-2,6-dimethoxybenzoyl chloride
SMILESCOc1cc(Cl)cc(OC)c1C(=O)Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3
InChIKeyNQLTXVOCSGVEFV-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.74
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

2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
2,4-dichloro-6-methoxybenzamide
CID 118588801
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
methyl 2-acetyl-5-chloro-3-methoxybenzoate
CID 169313792
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
1-(4-chloro-2-methoxy-6-nitrophenyl)ethanone
CID 171009212
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethoxybenzoyl chloride?
The IUPAC name of 4-chloro-2,6-dimethoxybenzoyl chloride (CID 21317234) is 4-chloro-2,6-dimethoxybenzoyl chloride.
What is the SMILES notation for 4-chloro-2,6-dimethoxybenzoyl chloride?
The canonical SMILES for 4-chloro-2,6-dimethoxybenzoyl chloride is COc1cc(Cl)cc(OC)c1C(=O)Cl.
What is the InChIKey of 4-chloro-2,6-dimethoxybenzoyl chloride?
The InChIKey is NQLTXVOCSGVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethoxybenzoyl chloride?
4-chloro-2,6-dimethoxybenzoyl chloride has a molecular weight of 235.07 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethoxybenzoyl chloride is sourced from PubChem (CID 21317234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).