2,6-dichloro-3,5-dimethoxybenzoyl chloride

C9H7Cl3O3 — CID 156633344

IUPAC2,6-dichloro-3,5-dimethoxybenzoyl chloride
SMILESCOc1cc(OC)c(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C9H7Cl3O3/c1-14-4-3-5(15-2)8(11)6(7(4)10)9(12)13/h3H,1-2H3
InChIKeyQQLSUVYNWGVHLO-UHFFFAOYSA-N
MW269.51 g/mol
LogP3.39
Rot. Bonds3

About 2,6-dichloro-3,5-dimethoxybenzoyl chloride

2,6-dichloro-3,5-dimethoxybenzoyl chloride (PubChem CID 156633344) has the molecular formula C9H7Cl3O3 and a molecular weight of 269.51 g/mol. Its IUPAC name is 2,6-dichloro-3,5-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name2,6-dichloro-3,5-dimethoxybenzoyl chloride
PubChem CID156633344
Molecular FormulaC9H7Cl3O3
Molecular Weight269.51 g/mol
Exact Mass267.95
IUPAC Name2,6-dichloro-3,5-dimethoxybenzoyl chloride
SMILESCOc1cc(OC)c(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C9H7Cl3O3/c1-14-4-3-5(15-2)8(11)6(7(4)10)9(12)13/h3H,1-2H3
InChIKeyQQLSUVYNWGVHLO-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 53.39
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

4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
CID 159426451

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-dimethoxybenzoyl chloride?
The IUPAC name of 2,6-dichloro-3,5-dimethoxybenzoyl chloride (CID 156633344) is 2,6-dichloro-3,5-dimethoxybenzoyl chloride.
What is the SMILES notation for 2,6-dichloro-3,5-dimethoxybenzoyl chloride?
The canonical SMILES for 2,6-dichloro-3,5-dimethoxybenzoyl chloride is COc1cc(OC)c(Cl)c(C(=O)Cl)c1Cl.
What is the InChIKey of 2,6-dichloro-3,5-dimethoxybenzoyl chloride?
The InChIKey is QQLSUVYNWGVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O3/c1-14-4-3-5(15-2)8(11)6(7(4)10)9(12)13/h3H,1-2H3.
What are the key properties of 2,6-dichloro-3,5-dimethoxybenzoyl chloride?
2,6-dichloro-3,5-dimethoxybenzoyl chloride has a molecular weight of 269.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-dimethoxybenzoyl chloride is sourced from PubChem (CID 156633344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).