3-methyl-4-oxo-5,5-diphenylpentanoic acid

C18H18O3 — CID 107292902

IUPAC3-methyl-4-oxo-5,5-diphenylpentanoic acid
SMILESCC(CC(=O)O)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(12-16(19)20)18(21)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,20)
InChIKeyOSLKVFIUPWEXFU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds6

About 3-methyl-4-oxo-5,5-diphenylpentanoic acid

3-methyl-4-oxo-5,5-diphenylpentanoic acid (PubChem CID 107292902) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-4-oxo-5,5-diphenylpentanoic acid.

Molecular Properties

Compound Name3-methyl-4-oxo-5,5-diphenylpentanoic acid
PubChem CID107292902
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-methyl-4-oxo-5,5-diphenylpentanoic acid
SMILESCC(CC(=O)O)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-13(12-16(19)20)18(21)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,20)
InChIKeyOSLKVFIUPWEXFU-UHFFFAOYSA-N
XLogP3.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
4-methyl-3-phenylpentanoic acid
CID 3249521
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
2-(1-phenylethyl)butanedioic acid
CID 2837676
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-methyl-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 66667433
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-5,5-diphenylpentanoic acid?
The IUPAC name of 3-methyl-4-oxo-5,5-diphenylpentanoic acid (CID 107292902) is 3-methyl-4-oxo-5,5-diphenylpentanoic acid.
What is the SMILES notation for 3-methyl-4-oxo-5,5-diphenylpentanoic acid?
The canonical SMILES for 3-methyl-4-oxo-5,5-diphenylpentanoic acid is CC(CC(=O)O)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-4-oxo-5,5-diphenylpentanoic acid?
The InChIKey is OSLKVFIUPWEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(12-16(19)20)18(21)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,20).
What are the key properties of 3-methyl-4-oxo-5,5-diphenylpentanoic acid?
3-methyl-4-oxo-5,5-diphenylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-5,5-diphenylpentanoic acid is sourced from PubChem (CID 107292902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).