ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate

C17H16O3 — CID 132574496

IUPACethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H16O3/c1-2-20-17(19)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12,18H,2H2,1H3/b15-12+
InChIKeyOAOSCRLEMYNABZ-NTCAYCPXSA-N
MW268.31 g/mol
LogP3.39
Rot. Bonds4

About ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate

ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate (PubChem CID 132574496) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
PubChem CID132574496
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H16O3/c1-2-20-17(19)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12,18H,2H2,1H3/b15-12+
InChIKeyOAOSCRLEMYNABZ-NTCAYCPXSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
CID 10779406
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate (CID 132574496) is ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(\c1ccccc1)c1ccccc1O.
What is the InChIKey of ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate?
The InChIKey is OAOSCRLEMYNABZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-20-17(19)12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-12,18H,2H2,1H3/b15-12+.
What are the key properties of ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate?
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 132574496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).