(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one

C17H16O2 — CID 11736860

IUPAC(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-12,17,19H,13H2/b12-11+
InChIKeyVEDSJBNQWQAJJE-VAWYXSNFSA-N
MW252.31 g/mol
LogP3.39
Rot. Bonds5

About (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one

(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one (PubChem CID 11736860) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one
PubChem CID11736860
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-12,17,19H,13H2/b12-11+
InChIKeyVEDSJBNQWQAJJE-VAWYXSNFSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one?
The IUPAC name of (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one (CID 11736860) is (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one?
The canonical SMILES for (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one is O=C(/C=C/c1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one?
The InChIKey is VEDSJBNQWQAJJE-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-12,17,19H,13H2/b12-11+.
What are the key properties of (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one?
(E)-5-hydroxy-1,5-diphenylpent-1-en-3-one has a molecular weight of 252.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1,5-diphenylpent-1-en-3-one is sourced from PubChem (CID 11736860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).