4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid

C17H15FO3 — CID 69075311

IUPAC4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
SMILESCCOc1ccc(C(=O)O)cc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H15FO3/c1-2-21-16-10-7-14(17(19)20)11-13(16)6-3-12-4-8-15(18)9-5-12/h3-11H,2H2,1H3,(H,19,20)/b6-3+
InChIKeyAJSQWCMJDVNKEG-ZZXKWVIFSA-N
MW286.30 g/mol
LogP4.09
Rot. Bonds5

About 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid

4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid (PubChem CID 69075311) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
PubChem CID69075311
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
SMILESCCOc1ccc(C(=O)O)cc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H15FO3/c1-2-21-16-10-7-14(17(19)20)11-13(16)6-3-12-4-8-15(18)9-5-12/h3-11H,2H2,1H3,(H,19,20)/b6-3+
InChIKeyAJSQWCMJDVNKEG-ZZXKWVIFSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 54.09
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

4-ethoxy-3-formylbenzoic acid
CID 40655849
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
3-(2-phenylethenyl)-4-phenylmethoxybenzoic acid
CID 57066930
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
CID 102415018
3-(2-ethoxy-5-fluorophenyl)prop-2-enal
CID 169459314
3-ethoxy-4-formylbenzoic acid
CID 21100742
3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148
4-[(E)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]-2,5-bis(oct-7-enoxy)phenyl]ethenyl]benzoic acid
CID 102255474

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid?
The IUPAC name of 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid (CID 69075311) is 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid.
What is the SMILES notation for 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid?
The canonical SMILES for 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid is CCOc1ccc(C(=O)O)cc1/C=C/c1ccc(F)cc1.
What is the InChIKey of 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid?
The InChIKey is AJSQWCMJDVNKEG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-21-16-10-7-14(17(19)20)11-13(16)6-3-12-4-8-15(18)9-5-12/h3-11H,2H2,1H3,(H,19,20)/b6-3+.
What are the key properties of 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid?
4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid has a molecular weight of 286.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid is sourced from PubChem (CID 69075311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).