2-(4-acetylphenyl)acetyl chloride

C10H9ClO2 — CID 19746515

IUPAC2-(4-acetylphenyl)acetyl chloride
SMILESCC(=O)c1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C10H9ClO2/c1-7(12)9-4-2-8(3-5-9)6-10(11)13/h2-5H,6H2,1H3
InChIKeySXVGEOPOJGCHIC-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-acetylphenyl)acetyl chloride

2-(4-acetylphenyl)acetyl chloride (PubChem CID 19746515) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-(4-acetylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(4-acetylphenyl)acetyl chloride
PubChem CID19746515
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name2-(4-acetylphenyl)acetyl chloride
SMILESCC(=O)c1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C10H9ClO2/c1-7(12)9-4-2-8(3-5-9)6-10(11)13/h2-5H,6H2,1H3
InChIKeySXVGEOPOJGCHIC-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-acetylphenyl)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-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
1-(4-acetylphenyl)-3,3-dimethylbutan-2-one
CID 122675580
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
1-[4-(2,2-dimethylpropyl)phenyl]ethanone
CID 20645073
2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
CID 167869260
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
CID 142235014
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)acetyl chloride?
The IUPAC name of 2-(4-acetylphenyl)acetyl chloride (CID 19746515) is 2-(4-acetylphenyl)acetyl chloride.
What is the SMILES notation for 2-(4-acetylphenyl)acetyl chloride?
The canonical SMILES for 2-(4-acetylphenyl)acetyl chloride is CC(=O)c1ccc(CC(=O)Cl)cc1.
What is the InChIKey of 2-(4-acetylphenyl)acetyl chloride?
The InChIKey is SXVGEOPOJGCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-7(12)9-4-2-8(3-5-9)6-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 2-(4-acetylphenyl)acetyl chloride?
2-(4-acetylphenyl)acetyl chloride has a molecular weight of 196.63 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)acetyl chloride is sourced from PubChem (CID 19746515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).