5-chloro-2,4-dimethoxybenzoyl chloride

C9H8Cl2O3 — CID 18687442

IUPAC5-chloro-2,4-dimethoxybenzoyl chloride
SMILESCOc1cc(OC)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3
InChIKeyYIGZRYWEVQQCFA-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-2,4-dimethoxybenzoyl chloride

5-chloro-2,4-dimethoxybenzoyl chloride (PubChem CID 18687442) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxybenzoyl chloride
PubChem CID18687442
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name5-chloro-2,4-dimethoxybenzoyl chloride
SMILESCOc1cc(OC)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3
InChIKeyYIGZRYWEVQQCFA-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-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
5-chloro-4-chlorosulfonyl-2-methoxybenzoyl chloride
CID 116739971
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539
methyl 4-(5-chloro-2,4-dimethoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 53395920
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
CID 24809695
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxybenzoyl chloride?
The IUPAC name of 5-chloro-2,4-dimethoxybenzoyl chloride (CID 18687442) is 5-chloro-2,4-dimethoxybenzoyl chloride.
What is the SMILES notation for 5-chloro-2,4-dimethoxybenzoyl chloride?
The canonical SMILES for 5-chloro-2,4-dimethoxybenzoyl chloride is COc1cc(OC)c(C(=O)Cl)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxybenzoyl chloride?
The InChIKey is YIGZRYWEVQQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3.
What are the key properties of 5-chloro-2,4-dimethoxybenzoyl chloride?
5-chloro-2,4-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 5-chloro-2,4-dimethoxybenzoyl chloride is sourced from PubChem (CID 18687442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).