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

C14H9Cl3O — CID 82783018

IUPAC1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyRITCAQJAUQSVOM-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.52
Rot. Bonds2

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

1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone (PubChem CID 82783018) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
PubChem CID82783018
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyRITCAQJAUQSVOM-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
CID 82771006
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-acetyl-5-chlorobenzoic acid
CID 11229391
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone (CID 82783018) is 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone?
The InChIKey is RITCAQJAUQSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3.
What are the key properties of 1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone?
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone has a molecular weight of 299.58 g/mol, XLogP of 5.52, 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-(2,4-dichlorophenyl)phenyl]ethanone is sourced from PubChem (CID 82783018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).