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

C16H15FO2 — CID 11777274

IUPAC2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
InChIKeyUTJOTVGFUYHIRG-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.85
Rot. Bonds3

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

2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid (PubChem CID 11777274) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid
PubChem CID11777274
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
InChIKeyUTJOTVGFUYHIRG-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid (CID 11777274) is 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid?
The InChIKey is UTJOTVGFUYHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-16(2,15(18)19)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid?
2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid has a molecular weight of 258.29 g/mol, XLogP of 3.85, 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)-2-methylpropanoic acid is sourced from PubChem (CID 11777274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).