4-(2,6-dimethylphenyl)benzoyl chloride

C15H13ClO — CID 87540667

IUPAC4-(2,6-dimethylphenyl)benzoyl chloride
SMILESCc1cccc(C)c1-c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C15H13ClO/c1-10-4-3-5-11(2)14(10)12-6-8-13(9-7-12)15(16)17/h3-9H,1-2H3
InChIKeyJZKQWULBFNMOAF-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.35
Rot. Bonds2

About 4-(2,6-dimethylphenyl)benzoyl chloride

4-(2,6-dimethylphenyl)benzoyl chloride (PubChem CID 87540667) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)benzoyl chloride
PubChem CID87540667
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name4-(2,6-dimethylphenyl)benzoyl chloride
SMILESCc1cccc(C)c1-c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C15H13ClO/c1-10-4-3-5-11(2)14(10)12-6-8-13(9-7-12)15(16)17/h3-9H,1-2H3
InChIKeyJZKQWULBFNMOAF-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethylphenyl)benzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)benzoyl chloride?
The IUPAC name of 4-(2,6-dimethylphenyl)benzoyl chloride (CID 87540667) is 4-(2,6-dimethylphenyl)benzoyl chloride.
What is the SMILES notation for 4-(2,6-dimethylphenyl)benzoyl chloride?
The canonical SMILES for 4-(2,6-dimethylphenyl)benzoyl chloride is Cc1cccc(C)c1-c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(2,6-dimethylphenyl)benzoyl chloride?
The InChIKey is JZKQWULBFNMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10-4-3-5-11(2)14(10)12-6-8-13(9-7-12)15(16)17/h3-9H,1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)benzoyl chloride?
4-(2,6-dimethylphenyl)benzoyl chloride has a molecular weight of 244.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)benzoyl chloride is sourced from PubChem (CID 87540667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).