3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid

C22H17FO3 — CID 67658717

IUPAC3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1cccc(F)c1C=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17FO3/c23-20-11-6-10-19(22(24)25)18(20)14-13-17-9-4-5-12-21(17)26-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)
InChIKeyZDYCEAVHRPKWHC-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.27
Rot. Bonds6

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

3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid (PubChem CID 67658717) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
PubChem CID67658717
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Name3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1cccc(F)c1C=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17FO3/c23-20-11-6-10-19(22(24)25)18(20)14-13-17-9-4-5-12-21(17)26-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)
InChIKeyZDYCEAVHRPKWHC-UHFFFAOYSA-N
XLogP5.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
methyl 3,5-dibromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 18973794
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The IUPAC name of 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid (CID 67658717) is 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The canonical SMILES for 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid is O=C(O)c1cccc(F)c1C=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The InChIKey is ZDYCEAVHRPKWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3/c23-20-11-6-10-19(22(24)25)18(20)14-13-17-9-4-5-12-21(17)26-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25).
What are the key properties of 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid has a molecular weight of 348.37 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 67658717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).