2-[2-(4-methylphenyl)phenyl]acetyl chloride

C15H13ClO — CID 23292502

IUPAC2-[2-(4-methylphenyl)phenyl]acetyl chloride
SMILESCc1ccc(-c2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C15H13ClO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyCUMUZSPMFVFRFG-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.97
Rot. Bonds3

About 2-[2-(4-methylphenyl)phenyl]acetyl chloride

2-[2-(4-methylphenyl)phenyl]acetyl chloride (PubChem CID 23292502) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)phenyl]acetyl chloride
PubChem CID23292502
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-[2-(4-methylphenyl)phenyl]acetyl chloride
SMILESCc1ccc(-c2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C15H13ClO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyCUMUZSPMFVFRFG-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(4-methylphenyl)phenyl]acetyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-pyridin-4-ylphenyl)acetyl chloride
CID 22994144
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
CID 161201714
1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
CID 54442957
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
CID 135075910
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
2,6-bis(4-methylphenyl)benzamide
CID 11301076
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)phenyl]acetyl chloride?
The IUPAC name of 2-[2-(4-methylphenyl)phenyl]acetyl chloride (CID 23292502) is 2-[2-(4-methylphenyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[2-(4-methylphenyl)phenyl]acetyl chloride?
The canonical SMILES for 2-[2-(4-methylphenyl)phenyl]acetyl chloride is Cc1ccc(-c2ccccc2CC(=O)Cl)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)phenyl]acetyl chloride?
The InChIKey is CUMUZSPMFVFRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)phenyl]acetyl chloride?
2-[2-(4-methylphenyl)phenyl]acetyl chloride has a molecular weight of 244.72 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)phenyl]acetyl chloride is sourced from PubChem (CID 23292502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).