(E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile

C₂₁H₁₅NO — CID 14537255

About (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile

(E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile (PubChem CID 14537255) has the molecular formula C₂₁H₁₅NO and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile.

Molecular Properties

• Compound Name: (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile
• PubChem CID: 14537255
• Molecular Formula: C₂₁H₁₅NO
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.12
• IUPAC Name: (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile
• SMILES: N#C/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1
• InChI: InChI=1S/C21H15NO/c22-15-20(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)18-11-13-19(23)14-12-18/h1-14,23H/b21-20-
• InChIKey: ASWQVWZGOMLNRM-MRCUWXFGSA-N
• XLogP: 4.87
• TPSA: 44.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile?

The IUPAC name of (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile (CID 14537255) is (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile.

What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile?

The canonical SMILES for (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile is N#C/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1.

What is the InChIKey of (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile?

The InChIKey is ASWQVWZGOMLNRM-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H15NO/c22-15-20(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)18-11-13-19(23)14-12-18/h1-14,23H/b21-20-.

What are the key properties of (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile?

(E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile has a molecular weight of 297.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-hydroxyphenyl)-2,3-diphenylprop-2-enenitrile is sourced from PubChem (CID 14537255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14537255 — identifiers, structure, computed properties (public domain)

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