3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid

C24H22O3 — CID 23276830

IUPAC3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O3/c1-17(16-24(26)27)15-23(25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3,(H,26,27)
InChIKeyDPEYFGWROBBCGU-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.70
Rot. Bonds7

About 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid

3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid (PubChem CID 23276830) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
PubChem CID23276830
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O3/c1-17(16-24(26)27)15-23(25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3,(H,26,27)
InChIKeyDPEYFGWROBBCGU-UHFFFAOYSA-N
XLogP5.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759684
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
5-(4-butylphenyl)-3-methyl-5-oxopentanoic acid
CID 2757308
(3S)-5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
CID 7154075
(3R)-5-(3,4-dichlorophenyl)-3-methyl-5-oxopentanoic acid
CID 26595905
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
5-(4-hexadecylphenyl)-3-methyl-5-oxopentanoic acid
CID 10741308
5-(3,5-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 2758615
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
CID 24835772
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid (CID 23276830) is 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid is CC(CC(=O)O)CC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid?
The InChIKey is DPEYFGWROBBCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-17(16-24(26)27)15-23(25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3,(H,26,27).
What are the key properties of 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid?
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid has a molecular weight of 358.44 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid is sourced from PubChem (CID 23276830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).