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

C16H15FO2 — CID 117399352

IUPAC3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(F)c(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H15FO2/c1-11(16(18)19)9-12-7-8-15(17)14(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyYFYAKXSPKZTHGO-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.76
Rot. Bonds4

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

3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid (PubChem CID 117399352) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
PubChem CID117399352
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(F)c(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H15FO2/c1-11(16(18)19)9-12-7-8-15(17)14(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyYFYAKXSPKZTHGO-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluoro-5-phenylphenyl)-2-methylpropanoic acid
CID 117442171
3-[3-(dimethylamino)-4-fluorophenyl]-2-methylpropanoic acid
CID 115112870
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid (CID 117399352) is 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid is CC(Cc1ccc(F)c(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid?
The InChIKey is YFYAKXSPKZTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(16(18)19)9-12-7-8-15(17)14(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid?
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid has a molecular weight of 258.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117399352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).