1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone

C17H17ClO — CID 82771006

IUPAC1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C17H17ClO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16(12(3)19)17(18)10-15/h4-11H,1-3H3
InChIKeyXOSNNKWBQQAMPA-UHFFFAOYSA-N
MW272.78 g/mol
LogP5.33
Rot. Bonds3

About 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone

1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone (PubChem CID 82771006) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
PubChem CID82771006
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C17H17ClO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16(12(3)19)17(18)10-15/h4-11H,1-3H3
InChIKeyXOSNNKWBQQAMPA-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone 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

1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
1-[2-chloro-4-(5-methylthiophen-3-yl)phenyl]ethanone
CID 82782330
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
3-(4-acetyl-3-chlorophenyl)benzonitrile
CID 82770869
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
3-(4-acetyl-3-chlorophenyl)-2,3-dihydroxypropanoic acid
CID 170824284
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone (CID 82771006) is 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone?
The InChIKey is XOSNNKWBQQAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11(2)13-4-6-14(7-5-13)15-8-9-16(12(3)19)17(18)10-15/h4-11H,1-3H3.
What are the key properties of 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone?
1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone has a molecular weight of 272.78 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone is sourced from PubChem (CID 82771006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).