phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate

C17H16O3 — CID 731125

IUPACphenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-19-15-11-8-14(9-12-15)10-13-17(18)20-16-6-4-3-5-7-16/h3-13H,2H2,1H3/b13-10+
InChIKeyAFDASBLGISAGMD-JLHYYAGUSA-N
MW268.31 g/mol
LogP3.70
Rot. Bonds5

About phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate

phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 731125) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namephenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID731125
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namephenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-19-15-11-8-14(9-12-15)10-13-17(18)20-16-6-4-3-5-7-16/h3-13H,2H2,1H3/b13-10+
InChIKeyAFDASBLGISAGMD-JLHYYAGUSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate (CID 731125) is phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is AFDASBLGISAGMD-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-19-15-11-8-14(9-12-15)10-13-17(18)20-16-6-4-3-5-7-16/h3-13H,2H2,1H3/b13-10+.
What are the key properties of phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate?
phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 731125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).