3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid

C26H19FO3 — CID 10000919

IUPAC3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H19FO3/c27-21-15-19(14-20(16-21)26(28)29)22-10-4-5-11-23(22)24-12-6-7-13-25(24)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)
InChIKeyNUUAXCIASVAYSL-UHFFFAOYSA-N
MW398.43 g/mol
LogP6.44
Rot. Bonds6

About 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid

3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid (PubChem CID 10000919) has the molecular formula C26H19FO3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid
PubChem CID10000919
Molecular FormulaC26H19FO3
Molecular Weight398.43 g/mol
Exact Mass398.13
IUPAC Name3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H19FO3/c27-21-15-19(14-20(16-21)26(28)29)22-10-4-5-11-23(22)24-12-6-7-13-25(24)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)
InChIKeyNUUAXCIASVAYSL-UHFFFAOYSA-N
XLogP6.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid?
The IUPAC name of 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid (CID 10000919) is 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid is O=C(O)c1cc(F)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid?
The InChIKey is NUUAXCIASVAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FO3/c27-21-15-19(14-20(16-21)26(28)29)22-10-4-5-11-23(22)24-12-6-7-13-25(24)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29).
What are the key properties of 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid?
3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid has a molecular weight of 398.43 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 10000919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).