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

C19H20O — CID 5316932

IUPAC(E)-1,7-diphenylhept-4-en-3-one
SMILESO=C(/C=C/CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+
InChIKeyUDNMYDZHPMNIEQ-RIYZIHGNSA-N
MW264.37 g/mol
LogP4.38
Rot. Bonds7

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

(E)-1,7-diphenylhept-4-en-3-one (PubChem CID 5316932) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1,7-diphenylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-1,7-diphenylhept-4-en-3-one
PubChem CID5316932
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-1,7-diphenylhept-4-en-3-one
SMILESO=C(/C=C/CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+
InChIKeyUDNMYDZHPMNIEQ-RIYZIHGNSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-1,7-diphenylhept-4-en-3-one?
The IUPAC name of (E)-1,7-diphenylhept-4-en-3-one (CID 5316932) is (E)-1,7-diphenylhept-4-en-3-one.
What is the SMILES notation for (E)-1,7-diphenylhept-4-en-3-one?
The canonical SMILES for (E)-1,7-diphenylhept-4-en-3-one is O=C(/C=C/CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (E)-1,7-diphenylhept-4-en-3-one?
The InChIKey is UDNMYDZHPMNIEQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+.
What are the key properties of (E)-1,7-diphenylhept-4-en-3-one?
(E)-1,7-diphenylhept-4-en-3-one has a molecular weight of 264.37 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-diphenylhept-4-en-3-one is sourced from PubChem (CID 5316932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).