2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C17H16O4 — CID 122193252

IUPAC2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1
InChIInChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
InChIKeyOXEXRXXOYLBVDO-RMKNXTFCSA-N
MW284.31 g/mol
LogP2.90
Rot. Bonds5

About 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 122193252) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID122193252
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1
InChIInChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
InChIKeyOXEXRXXOYLBVDO-RMKNXTFCSA-N
XLogP2.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rosmarinic Acid
CID 5281792
alpha-((3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxybenzenepropanoic acid
CID 5099
Caffeic Acid Phenethyl Ester
CID 5281787
Ethyl Caffeate
CID 5317238
P-Hydroxyphenethyl Trans-Ferulate
CID 637308
Bisnoryangonin
CID 54680478
Hydroxytyrosol Acetate
CID 155240
3-(3,4-Dihydroxyphenyl)-2-((E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl)Oxypropanoic Acid
CID 5315615
Ethyl coumarate
CID 676946
Prenyl Caffeate
CID 5281790
Octadecyl p-coumarate
CID 12018904
Methyl Rosmarinate
CID 6479915

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 122193252) is 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is OXEXRXXOYLBVDO-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+.
What are the key properties of 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 122193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).