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

C21H18O3 — CID 3054479

IUPAC3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)CC(O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-20(23)15-21(24,18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,24H,15H2,(H,22,23)
InChIKeyMUUUUWWUYQJSAI-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.06
Rot. Bonds5

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

3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid (PubChem CID 3054479) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid
PubChem CID3054479
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)CC(O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-20(23)15-21(24,18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,24H,15H2,(H,22,23)
InChIKeyMUUUUWWUYQJSAI-UHFFFAOYSA-N
XLogP4.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.06
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
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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-3-phenyl-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid (CID 3054479) is 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid is O=C(O)CC(O)(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid?
The InChIKey is MUUUUWWUYQJSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-20(23)15-21(24,18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,24H,15H2,(H,22,23).
What are the key properties of 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid?
3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 3054479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).