2-(3-fluoro-4-phenylphenyl)propanoic acid

C15H13FO2 — CID 3394

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IUPAC2-(3-fluoro-4-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKeySYTBZMRGLBWNTM-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.68
Rot. Bonds3

About 2-(3-fluoro-4-phenylphenyl)propanoic acid

2-(3-fluoro-4-phenylphenyl)propanoic acid (PubChem CID 3394) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)propanoic acid
PubChem CID3394
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name2-(3-fluoro-4-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKeySYTBZMRGLBWNTM-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Ibuprofen, (+-)-
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CID 10296
Loxoprofen
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Esflurbiprofen
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Tarenflurbil
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Ibuprofen, (-)-
CID 114864
Flurbiprofen Axetil
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Ibufenac
CID 15250
Ibuprofen, Sodium Salt
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)propanoic acid (CID 3394) is 2-(3-fluoro-4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)propanoic acid?
The InChIKey is SYTBZMRGLBWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-phenylphenyl)propanoic acid?
2-(3-fluoro-4-phenylphenyl)propanoic acid has a molecular weight of 244.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)propanoic acid is sourced from PubChem (CID 3394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).