(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one

C19H20O2 — CID 24755150

IUPAC(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
SMILESO=C(/C=C/C(O)Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,13-14,19,21H,11-12,15H2/b14-13+
InChIKeyTYZZLIGGENRWEF-BUHFOSPRSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds7

About (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one

(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one (PubChem CID 24755150) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
PubChem CID24755150
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
SMILESO=C(/C=C/C(O)Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,13-14,19,21H,11-12,15H2/b14-13+
InChIKeyTYZZLIGGENRWEF-BUHFOSPRSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
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)-6-hydroxy-1,7-diphenylhept-4-en-3-one?
The IUPAC name of (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one (CID 24755150) is (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one.
What is the SMILES notation for (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one?
The canonical SMILES for (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one is O=C(/C=C/C(O)Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one?
The InChIKey is TYZZLIGGENRWEF-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,13-14,19,21H,11-12,15H2/b14-13+.
What are the key properties of (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one?
(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one has a molecular weight of 280.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one is sourced from PubChem (CID 24755150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).