1,4-diphenylhept-6-en-1-one

C19H20O — CID 22894004

IUPAC1,4-diphenylhept-6-en-1-one
SMILESC=CCC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-2-9-16(17-10-5-3-6-11-17)14-15-19(20)18-12-7-4-8-13-18/h2-8,10-13,16H,1,9,14-15H2
InChIKeyNDVKKZJMNGWACW-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.01
Rot. Bonds7

About 1,4-diphenylhept-6-en-1-one

1,4-diphenylhept-6-en-1-one (PubChem CID 22894004) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,4-diphenylhept-6-en-1-one.

Molecular Properties

Compound Name1,4-diphenylhept-6-en-1-one
PubChem CID22894004
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1,4-diphenylhept-6-en-1-one
SMILESC=CCC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-2-9-16(17-10-5-3-6-11-17)14-15-19(20)18-12-7-4-8-13-18/h2-8,10-13,16H,1,9,14-15H2
InChIKeyNDVKKZJMNGWACW-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299
(3S)-3-phenylhex-5-enal
CID 11229081
4-amino-1,4-diphenylbutan-1-one
CID 116570833
oct-1-en-4-ylbenzene
CID 22247233
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
ethyl 3-phenylhex-5-enoate
CID 11481375
(6-oxo-6-phenylhex-1-en-3-yl) benzoate
CID 132598620
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylhept-6-en-1-one?
The IUPAC name of 1,4-diphenylhept-6-en-1-one (CID 22894004) is 1,4-diphenylhept-6-en-1-one.
What is the SMILES notation for 1,4-diphenylhept-6-en-1-one?
The canonical SMILES for 1,4-diphenylhept-6-en-1-one is C=CCC(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-diphenylhept-6-en-1-one?
The InChIKey is NDVKKZJMNGWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-2-9-16(17-10-5-3-6-11-17)14-15-19(20)18-12-7-4-8-13-18/h2-8,10-13,16H,1,9,14-15H2.
What are the key properties of 1,4-diphenylhept-6-en-1-one?
1,4-diphenylhept-6-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylhept-6-en-1-one is sourced from PubChem (CID 22894004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).