1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone

C16H15ClO — CID 82769802

IUPAC1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C)cc1Cl
InChIInChI=1S/C16H15ClO/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)18)16(17)9-13/h4-9H,1-3H3
InChIKeyUQPDZKPREPLUAR-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.83
Rot. Bonds2

About 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone

1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone (PubChem CID 82769802) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
PubChem CID82769802
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C)cc1Cl
InChIInChI=1S/C16H15ClO/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)18)16(17)9-13/h4-9H,1-3H3
InChIKeyUQPDZKPREPLUAR-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647081
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
1-(2-chloro-4-isoquinolin-8-ylphenyl)ethanone
CID 103143932
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
1-[2-chloro-4-(3-methylthiophen-2-yl)phenyl]ethanone
CID 82782333
1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
CID 82771006
3-(4-acetyl-3-chlorophenyl)benzonitrile
CID 82770869

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone (CID 82769802) is 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cccc(C)c2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone?
The InChIKey is UQPDZKPREPLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)18)16(17)9-13/h4-9H,1-3H3.
What are the key properties of 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone?
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone has a molecular weight of 258.75 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone is sourced from PubChem (CID 82769802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).