(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione

C25H22O3 — CID 5356161

IUPAC(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
SMILESO=C(CC(=O)c1ccccc1)CC(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3/c26-23(18-24(27)21-12-6-2-7-13-21)19-25(28,22-14-8-3-9-15-22)17-16-20-10-4-1-5-11-20/h1-17,28H,18-19H2/b17-16+
InChIKeyMUWXSVQCTMZWEZ-WUKNDPDISA-N
MW370.45 g/mol
LogP4.82
Rot. Bonds8

About (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione

(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione (PubChem CID 5356161) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione.

Molecular Properties

Compound Name(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
PubChem CID5356161
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
SMILESO=C(CC(=O)c1ccccc1)CC(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3/c26-23(18-24(27)21-12-6-2-7-13-21)19-25(28,22-14-8-3-9-15-22)17-16-20-10-4-1-5-11-20/h1-17,28H,18-19H2/b17-16+
InChIKeyMUWXSVQCTMZWEZ-WUKNDPDISA-N
XLogP4.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione?
The IUPAC name of (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione (CID 5356161) is (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione.
What is the SMILES notation for (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione?
The canonical SMILES for (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione is O=C(CC(=O)c1ccccc1)CC(O)(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione?
The InChIKey is MUWXSVQCTMZWEZ-WUKNDPDISA-N. The full InChI is InChI=1S/C25H22O3/c26-23(18-24(27)21-12-6-2-7-13-21)19-25(28,22-14-8-3-9-15-22)17-16-20-10-4-1-5-11-20/h1-17,28H,18-19H2/b17-16+.
What are the key properties of (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione?
(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione has a molecular weight of 370.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione is sourced from PubChem (CID 5356161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).