3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid

C21H17FO3 — CID 23276535

IUPAC3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C21H17FO3/c22-18-12-10-17(11-13-18)20(23)19(21(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19-20,23H,(H,24,25)
InChIKeyIJWSXSWVJOQCNN-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.39
Rot. Bonds5

About 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid

3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid (PubChem CID 23276535) has the molecular formula C21H17FO3 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid
PubChem CID23276535
Molecular FormulaC21H17FO3
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C21H17FO3/c22-18-12-10-17(11-13-18)20(23)19(21(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19-20,23H,(H,24,25)
InChIKeyIJWSXSWVJOQCNN-UHFFFAOYSA-N
XLogP4.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 45117195
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CID 10976082
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CID 92135977
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CID 118517483
CID 118517483
CID 118517485
CID 118517485
CID 3069705
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CID 11817710
CID 11817710
CID 2333509
CID 2333509
CID 25178170
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CID 25178171
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CID 25178370
CID 25178370

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid (CID 23276535) is 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid is O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid?
The InChIKey is IJWSXSWVJOQCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3/c22-18-12-10-17(11-13-18)20(23)19(21(24)25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19-20,23H,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid?
3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid has a molecular weight of 336.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-2-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 23276535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).