3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid

C22H20O3 — CID 2754441

IUPAC3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CC(O)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c23-21(24)16-22(25,15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,25H,15-16H2,(H,23,24)
InChIKeyKPLYWJANPFZBMD-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.26
Rot. Bonds6

About 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid

3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid (PubChem CID 2754441) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid
PubChem CID2754441
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid
SMILESO=C(O)CC(O)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c23-21(24)16-22(25,15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,25H,15-16H2,(H,23,24)
InChIKeyKPLYWJANPFZBMD-UHFFFAOYSA-N
XLogP4.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
Fencibutirol
CID 71170
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
AC55649
CID 1714884
15-Hydroxydehydroabietic Acid
CID 14487943
4-Pentyl-4'-biphenylcarboxylic Acid
CID 2063335
4-(4-Heptylphenyl)benzoic Acid
CID 3086355
4,4',4''-Trimethyltrityl alcohol
CID 76733
4-(4-Hexylphenyl)benzoic Acid
CID 13554588
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid
CID 9944781
4-(4-Propylphenyl)benzoic Acid
CID 522891

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid (CID 2754441) is 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid is O=C(O)CC(O)(Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid?
The InChIKey is KPLYWJANPFZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-21(24)16-22(25,15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,25H,15-16H2,(H,23,24).
What are the key properties of 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid?
3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 2754441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).