(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one

C20H15NO2 — CID 155518810

IUPAC(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H15NO2/c22-19-3-1-2-18(14-19)20(23)9-6-15-4-7-16(8-5-15)17-10-12-21-13-11-17/h1-14,22H/b9-6+
InChIKeyGHKWSAXLDYCGJD-RMKNXTFCSA-N
MW301.35 g/mol
LogP4.35
Rot. Bonds4

About (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one

(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one (PubChem CID 155518810) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
PubChem CID155518810
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H15NO2/c22-19-3-1-2-18(14-19)20(23)9-6-15-4-7-16(8-5-15)17-10-12-21-13-11-17/h1-14,22H/b9-6+
InChIKeyGHKWSAXLDYCGJD-RMKNXTFCSA-N
XLogP4.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one (CID 155518810) is (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1.
What is the InChIKey of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is GHKWSAXLDYCGJD-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-3-1-2-18(14-19)20(23)9-6-15-4-7-16(8-5-15)17-10-12-21-13-11-17/h1-14,22H/b9-6+.
What are the key properties of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one?
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 301.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 155518810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).