4-chloro-2,5-dimethylbenzoyl chloride

C9H8Cl2O — CID 82633705

IUPAC4-chloro-2,5-dimethylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3
InChIKeyBPCBFTVXPOPJKW-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-2,5-dimethylbenzoyl chloride

4-chloro-2,5-dimethylbenzoyl chloride (PubChem CID 82633705) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylbenzoyl chloride.

Molecular Properties

Compound Name4-chloro-2,5-dimethylbenzoyl chloride
PubChem CID82633705
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name4-chloro-2,5-dimethylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C9H8Cl2O/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3
InChIKeyBPCBFTVXPOPJKW-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

2,4,6-Trimethylbenzoyl chloride
CID 97038
2,4-Dimethylbenzoyl chloride
CID 140867
2,3-Dimethylbenzoyl chloride
CID 2800899
4'-Chloro-3'-methylacetophenone
CID 592743
8-Chlorochimaphilin
CID 10376193
2-Chloro-4-methylbenzoyl chloride
CID 15065186
1-(3-Chloro-4-methylphenyl)ethan-1-one
CID 342915
3,4-Dimethylbenzoyl chloride
CID 2758535
4'-Chloro-2'-methylbiphenyl-3-carbaldehyde
CID 86632832
4'-Chloro-2'-methyl-[1,1'-biphenyl]-4-carboxaldehyde
CID 87496493
1-(4-Chloro-2-fluoro-5-methylphenyl)ethanone
CID 2736564
6-Chloro-2-fluoro-3-methylbenzoyl chloride
CID 2773671

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylbenzoyl chloride?
The IUPAC name of 4-chloro-2,5-dimethylbenzoyl chloride (CID 82633705) is 4-chloro-2,5-dimethylbenzoyl chloride.
What is the SMILES notation for 4-chloro-2,5-dimethylbenzoyl chloride?
The canonical SMILES for 4-chloro-2,5-dimethylbenzoyl chloride is Cc1cc(C(=O)Cl)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethylbenzoyl chloride?
The InChIKey is BPCBFTVXPOPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethylbenzoyl chloride?
4-chloro-2,5-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 4-chloro-2,5-dimethylbenzoyl chloride is sourced from PubChem (CID 82633705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).