(E)-1,7-diphenylhept-6-en-1-one

C19H20O — CID 5369755

IUPAC(E)-1,7-diphenylhept-6-en-1-one
SMILESO=C(CCCC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c20-19(18-14-8-4-9-15-18)16-10-2-1-5-11-17-12-6-3-7-13-17/h3-9,11-15H,1-2,10,16H2/b11-5+
InChIKeyMBRJIENVTFUILU-VZUCSPMQSA-N
MW264.37 g/mol
LogP5.14
Rot. Bonds7

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

(E)-1,7-diphenylhept-6-en-1-one (PubChem CID 5369755) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1,7-diphenylhept-6-en-1-one.

Molecular Properties

Compound Name(E)-1,7-diphenylhept-6-en-1-one
PubChem CID5369755
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-1,7-diphenylhept-6-en-1-one
SMILESO=C(CCCC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c20-19(18-14-8-4-9-15-18)16-10-2-1-5-11-17-12-6-3-7-13-17/h3-9,11-15H,1-2,10,16H2/b11-5+
InChIKeyMBRJIENVTFUILU-VZUCSPMQSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
CID 11346279
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
7-phenylhept-6-en-2-one
CID 582607
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
(E)-5-phenylpent-4-enoic acid
CID 5370650
ethenyl 20-phenylicos-19-enoate
CID 141418818
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
(E)-9-phenylnon-8-en-1-ol
CID 10489025
(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one
CID 162420049
4-oxo-4-[4-(4-sulfanylbut-1-enyl)phenyl]butanoic acid
CID 170479249

Frequently Asked Questions

What is the IUPAC name of (E)-1,7-diphenylhept-6-en-1-one?
The IUPAC name of (E)-1,7-diphenylhept-6-en-1-one (CID 5369755) is (E)-1,7-diphenylhept-6-en-1-one.
What is the SMILES notation for (E)-1,7-diphenylhept-6-en-1-one?
The canonical SMILES for (E)-1,7-diphenylhept-6-en-1-one is O=C(CCCC/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,7-diphenylhept-6-en-1-one?
The InChIKey is MBRJIENVTFUILU-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H20O/c20-19(18-14-8-4-9-15-18)16-10-2-1-5-11-17-12-6-3-7-13-17/h3-9,11-15H,1-2,10,16H2/b11-5+.
What are the key properties of (E)-1,7-diphenylhept-6-en-1-one?
(E)-1,7-diphenylhept-6-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 5.14, 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-6-en-1-one is sourced from PubChem (CID 5369755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).