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

C₂₀H₁₅NO₂ — CID 155518810

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 CID: 155518810
• Molecular Formula: C₂₀H₁₅NO₂
• Molecular Weight: 301.35 g/mol
• Exact Mass: 301.11
• IUPAC Name: (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
• SMILES: O=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1
• InChI: 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+
• InChIKey: GHKWSAXLDYCGJD-RMKNXTFCSA-N
• XLogP: 4.35
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.35
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 155518810 — identifiers, structure, computed properties (public domain)

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