1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione

C24H21ClO3 — CID 57258892

IUPAC1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
SMILESCOc1ccc(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H21ClO3/c1-28-22-13-9-19(10-14-22)24(27)16-20(17-5-3-2-4-6-17)15-23(26)18-7-11-21(25)12-8-18/h2-14,20H,15-16H2,1H3
InChIKeyPKHCGCQFESZEJF-UHFFFAOYSA-N
MW392.88 g/mol
LogP5.98
Rot. Bonds8

About 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione

1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione (PubChem CID 57258892) has the molecular formula C24H21ClO3 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
PubChem CID57258892
Molecular FormulaC24H21ClO3
Molecular Weight392.88 g/mol
Exact Mass392.12
IUPAC Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
SMILESCOc1ccc(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H21ClO3/c1-28-22-13-9-19(10-14-22)24(27)16-20(17-5-3-2-4-6-17)15-23(26)18-7-11-21(25)12-8-18/h2-14,20H,15-16H2,1H3
InChIKeyPKHCGCQFESZEJF-UHFFFAOYSA-N
XLogP5.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
(3S)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)heptan-1-one
CID 101470095
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-[1-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926499
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
1,5-bis(4-chlorophenyl)-3-[2-(4-methoxyphenyl)quinolin-3-yl]pentane-1,5-dione
CID 132563705
1,5-bis(4-pentoxyphenyl)-3-phenylpentane-1,5-dione
CID 3785979
3-[1-(4-chlorophenyl)-1,5-dioxo-5-(3,4,5-trimethoxyphenyl)pentan-3-yl]benzoic acid
CID 10458520
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 10094314

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione (CID 57258892) is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione is COc1ccc(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
The InChIKey is PKHCGCQFESZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClO3/c1-28-22-13-9-19(10-14-22)24(27)16-20(17-5-3-2-4-6-17)15-23(26)18-7-11-21(25)12-8-18/h2-14,20H,15-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione?
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione has a molecular weight of 392.88 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione is sourced from PubChem (CID 57258892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).