[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

C22H16Cl2O2 — CID 3101530

IUPAC[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(C)cc3)cc2Cl)cc1
InChIInChI=1S/C22H16Cl2O2/c1-13-3-7-15(8-4-13)21(25)17-11-20(24)18(12-19(17)23)22(26)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeySIVMVUIOZHLLJT-UHFFFAOYSA-N
MW383.27 g/mol
LogP6.07
Rot. Bonds4

About [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone

[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 3101530) has the molecular formula C22H16Cl2O2 and a molecular weight of 383.27 g/mol. Its IUPAC name is [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
PubChem CID3101530
Molecular FormulaC22H16Cl2O2
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Name[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(C)cc3)cc2Cl)cc1
InChIInChI=1S/C22H16Cl2O2/c1-13-3-7-15(8-4-13)21(25)17-11-20(24)18(12-19(17)23)22(26)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeySIVMVUIOZHLLJT-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-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
CID 134514338
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(6-chloro-2,3,4-trihydroxyphenyl)-(4-methylphenyl)methanone
CID 166522827
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734

Frequently Asked Questions

What is the IUPAC name of [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone (CID 3101530) is [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(C)cc3)cc2Cl)cc1.
What is the InChIKey of [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is SIVMVUIOZHLLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2O2/c1-13-3-7-15(8-4-13)21(25)17-11-20(24)18(12-19(17)23)22(26)16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone?
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)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 [2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3101530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).