4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid

C23H16FNO2 — CID 67337874

IUPAC4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H16FNO2/c24-20-7-4-16(5-8-20)17-6-9-21(23(26)27)18(14-17)3-1-15-2-10-22-19(13-15)11-12-25-22/h1-14,25H,(H,26,27)
InChIKeyIWZOYQHEWHMJBK-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.84
Rot. Bonds4

About 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid

4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid (PubChem CID 67337874) has the molecular formula C23H16FNO2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid
PubChem CID67337874
Molecular FormulaC23H16FNO2
Molecular Weight357.38 g/mol
Exact Mass357.12
IUPAC Name4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H16FNO2/c24-20-7-4-16(5-8-20)17-6-9-21(23(26)27)18(14-17)3-1-15-2-10-22-19(13-15)11-12-25-22/h1-14,25H,(H,26,27)
InChIKeyIWZOYQHEWHMJBK-UHFFFAOYSA-N
XLogP5.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[2-[2-carboxy-5-(4-fluorophenyl)phenyl]ethenyl]benzoic acid
CID 67335570
2-[(E)-2-(4-cyclohexylphenyl)ethenyl]-4-(4-fluorophenyl)benzoic acid
CID 67336104
2-[2-(4-anilino-3-nitrophenyl)ethenyl]-4-(4-fluorophenyl)benzoic acid
CID 67336038
4-(4-fluorophenyl)-2-[(E)-2-(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
CID 67335810
4-(4-fluorophenyl)-2-[2-[1-(4-methylphenyl)sulfonylindol-6-yl]ethenyl]benzoic acid
CID 67337489
4-(4-fluorophenyl)-2-[(E)-2-[1-(4-methylphenyl)sulfonylindol-6-yl]ethenyl]benzoic acid
CID 67337484
2-[(E)-2-[4-(3-tert-butylphenoxy)-3-nitrophenyl]ethenyl]-4-(4-fluorophenyl)benzoic acid
CID 67336680
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
(E)-1-(2-hydroxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one
CID 118909598
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid (CID 67337874) is 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2)cc1C=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid?
The InChIKey is IWZOYQHEWHMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO2/c24-20-7-4-16(5-8-20)17-6-9-21(23(26)27)18(14-17)3-1-15-2-10-22-19(13-15)11-12-25-22/h1-14,25H,(H,26,27).
What are the key properties of 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid?
4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid has a molecular weight of 357.38 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(1H-indol-5-yl)ethenyl]benzoic acid is sourced from PubChem (CID 67337874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).