(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid

C17H15FO3 — CID 83950433

IUPAC(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C(\C(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO3/c1-2-21-15-9-3-12(4-10-15)11-16(17(19)20)13-5-7-14(18)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b16-11-
InChIKeyNXTGRVKXJQNJLC-WJDWOHSUSA-N
MW286.30 g/mol
LogP3.85
Rot. Bonds5

About (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid

(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid (PubChem CID 83950433) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
PubChem CID83950433
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
SMILESCCOc1ccc(/C=C(\C(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO3/c1-2-21-15-9-3-12(4-10-15)11-16(17(19)20)13-5-7-14(18)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b16-11-
InChIKeyNXTGRVKXJQNJLC-WJDWOHSUSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid
CID 118274623
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83953773
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 11380154
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
N-[3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5167576

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid (CID 83950433) is (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid is CCOc1ccc(/C=C(\C(=O)O)c2ccc(F)cc2)cc1.
What is the InChIKey of (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The InChIKey is NXTGRVKXJQNJLC-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-21-15-9-3-12(4-10-15)11-16(17(19)20)13-5-7-14(18)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b16-11-.
What are the key properties of (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 83950433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).