5-chloro-2,4-dimethylbenzoyl chloride

C9H8Cl2O — CID 82633624

IUPAC5-chloro-2,4-dimethylbenzoyl chloride
SMILESCc1cc(C)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3
InChIKeyMJIVTHQBAIDVMZ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.34
Rot. Bonds1

About 5-chloro-2,4-dimethylbenzoyl chloride

5-chloro-2,4-dimethylbenzoyl chloride (PubChem CID 82633624) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 5-chloro-2,4-dimethylbenzoyl chloride.

Molecular Properties

Compound Name5-chloro-2,4-dimethylbenzoyl chloride
PubChem CID82633624
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name5-chloro-2,4-dimethylbenzoyl chloride
SMILESCc1cc(C)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3
InChIKeyMJIVTHQBAIDVMZ-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
5-chloro-2,4-dimethylbenzamide
CID 82551019
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2,4-dichloro-5-methylbenzoic acid;ethane
CID 145266813
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290
sodium 2-carboxy-4-chloro-5-methylbenzoate
CID 169225016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethylbenzoyl chloride?
The IUPAC name of 5-chloro-2,4-dimethylbenzoyl chloride (CID 82633624) is 5-chloro-2,4-dimethylbenzoyl chloride.
What is the SMILES notation for 5-chloro-2,4-dimethylbenzoyl chloride?
The canonical SMILES for 5-chloro-2,4-dimethylbenzoyl chloride is Cc1cc(C)c(C(=O)Cl)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethylbenzoyl chloride?
The InChIKey is MJIVTHQBAIDVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3.
What are the key properties of 5-chloro-2,4-dimethylbenzoyl chloride?
5-chloro-2,4-dimethylbenzoyl chloride has a molecular weight of 203.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethylbenzoyl chloride is sourced from PubChem (CID 82633624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).