2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione

C24H21ClO2 — CID 167435263

IUPAC2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione
SMILESCc1ccccc1C(=O)CC(C(=O)c1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClO2/c1-16-7-3-5-9-20(16)23(26)15-22(18-11-13-19(25)14-12-18)24(27)21-10-6-4-8-17(21)2/h3-14,22H,15H2,1-2H3
InChIKeyQDOLXQUREWUZNA-UHFFFAOYSA-N
MW376.88 g/mol
LogP6.20
Rot. Bonds6

About 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione

2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione (PubChem CID 167435263) has the molecular formula C24H21ClO2 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione
PubChem CID167435263
Molecular FormulaC24H21ClO2
Molecular Weight376.88 g/mol
Exact Mass376.12
IUPAC Name2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione
SMILESCc1ccccc1C(=O)CC(C(=O)c1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClO2/c1-16-7-3-5-9-20(16)23(26)15-22(18-11-13-19(25)14-12-18)24(27)21-10-6-4-8-17(21)2/h3-14,22H,15H2,1-2H3
InChIKeyQDOLXQUREWUZNA-UHFFFAOYSA-N
XLogP6.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 3685562
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
1,2-bis(2-methylphenyl)ethanone
CID 11345119
(3R)-4,4,4-trifluoro-3-hydroxy-1-(2-methylphenyl)butan-1-one
CID 53255011
[4-(2-methylphenyl)-4-oxobutan-2-yl]phosphonic acid
CID 66796167
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione?
The IUPAC name of 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione (CID 167435263) is 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione?
The canonical SMILES for 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione is Cc1ccccc1C(=O)CC(C(=O)c1ccccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione?
The InChIKey is QDOLXQUREWUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClO2/c1-16-7-3-5-9-20(16)23(26)15-22(18-11-13-19(25)14-12-18)24(27)21-10-6-4-8-17(21)2/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione?
2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione has a molecular weight of 376.88 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,4-bis(2-methylphenyl)butane-1,4-dione is sourced from PubChem (CID 167435263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).