[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone

C22H16Cl2O2 — CID 25138990

IUPAC[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)cc(C)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H16Cl2O2/c1-13-11-15(21(25)16-7-3-5-9-18(16)23)12-14(2)20(13)22(26)17-8-4-6-10-19(17)24/h3-12H,1-2H3
InChIKeyACEFUXNIGQMKNN-UHFFFAOYSA-N
MW383.27 g/mol
LogP6.07
Rot. Bonds4

About [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone

[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone (PubChem CID 25138990) has the molecular formula C22H16Cl2O2 and a molecular weight of 383.27 g/mol. Its IUPAC name is [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
PubChem CID25138990
Molecular FormulaC22H16Cl2O2
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Name[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2Cl)cc(C)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H16Cl2O2/c1-13-11-15(21(25)16-7-3-5-9-18(16)23)12-14(2)20(13)22(26)17-8-4-6-10-19(17)24/h3-12H,1-2H3
InChIKeyACEFUXNIGQMKNN-UHFFFAOYSA-N
XLogP6.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone?
The IUPAC name of [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone (CID 25138990) is [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone?
The canonical SMILES for [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone is Cc1cc(C(=O)c2ccccc2Cl)cc(C)c1C(=O)c1ccccc1Cl.
What is the InChIKey of [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone?
The InChIKey is ACEFUXNIGQMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2O2/c1-13-11-15(21(25)16-7-3-5-9-18(16)23)12-14(2)20(13)22(26)17-8-4-6-10-19(17)24/h3-12H,1-2H3.
What are the key properties of [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone?
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone has a molecular weight of 383.27 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 25138990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).