(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one

C17H13NO2 — CID 56663459

IUPAC(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1ccc2cc(O)ccc21
InChIInChI=1S/C17H13NO2/c19-15-7-8-16-14(12-15)10-11-18(16)17(20)9-6-13-4-2-1-3-5-13/h1-12,19H/b9-6+
InChIKeySZYHHRUBYRDQCC-RMKNXTFCSA-N
MW263.30 g/mol
LogP3.70
Rot. Bonds2

About (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 56663459) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one
PubChem CID56663459
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1ccc2cc(O)ccc21
InChIInChI=1S/C17H13NO2/c19-15-7-8-16-14(12-15)10-11-18(16)17(20)9-6-13-4-2-1-3-5-13/h1-12,19H/b9-6+
InChIKeySZYHHRUBYRDQCC-RMKNXTFCSA-N
XLogP3.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-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-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one (CID 56663459) is (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)n1ccc2cc(O)ccc21.
What is the InChIKey of (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is SZYHHRUBYRDQCC-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13NO2/c19-15-7-8-16-14(12-15)10-11-18(16)17(20)9-6-13-4-2-1-3-5-13/h1-12,19H/b9-6+.
What are the key properties of (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-hydroxyindol-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 56663459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).