ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate

C17H15FO2 — CID 11414552

IUPACethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17(19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12H,2H2,1H3/b16-12+
InChIKeyHWMKLACELFNNPK-FOWTUZBSSA-N
MW270.30 g/mol
LogP3.82
Rot. Bonds4

About ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate

ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate (PubChem CID 11414552) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate
PubChem CID11414552
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Nameethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17(19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12H,2H2,1H3/b16-12+
InChIKeyHWMKLACELFNNPK-FOWTUZBSSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate (CID 11414552) is ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate?
The InChIKey is HWMKLACELFNNPK-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-20-17(19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12H,2H2,1H3/b16-12+.
What are the key properties of ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate?
ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate has a molecular weight of 270.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-fluorophenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 11414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).