1,1-diphenylhept-1-en-3-one

C19H20O — CID 69091035

IUPAC1,1-diphenylhept-1-en-3-one
SMILESCCCCC(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyYJOGFXQXWUBIEZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.88
Rot. Bonds6

About 1,1-diphenylhept-1-en-3-one

1,1-diphenylhept-1-en-3-one (PubChem CID 69091035) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,1-diphenylhept-1-en-3-one.

Molecular Properties

Compound Name1,1-diphenylhept-1-en-3-one
PubChem CID69091035
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1,1-diphenylhept-1-en-3-one
SMILESCCCCC(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyYJOGFXQXWUBIEZ-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.88
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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Related Compounds

5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride
CID 117066949
3-[(E)-3-oxo-1-phenyloct-1-enyl]cyclohex-2-en-1-one
CID 11529491
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
ethane;1-phenylpentan-1-one
CID 143728184
[(E)-hept-2-en-3-yl]benzene
CID 14568345
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
3-hydroxy-2-methylnon-3-en-5-one
CID 140897674
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
hexane;1-phenylethanone
CID 160797049
5-phenacylidenenonanal
CID 71404073
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-(benzamidocarbamothioyl)pentanamide
CID 4925808

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhept-1-en-3-one?
The IUPAC name of 1,1-diphenylhept-1-en-3-one (CID 69091035) is 1,1-diphenylhept-1-en-3-one.
What is the SMILES notation for 1,1-diphenylhept-1-en-3-one?
The canonical SMILES for 1,1-diphenylhept-1-en-3-one is CCCCC(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylhept-1-en-3-one?
The InChIKey is YJOGFXQXWUBIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 1,1-diphenylhept-1-en-3-one?
1,1-diphenylhept-1-en-3-one has a molecular weight of 264.37 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhept-1-en-3-one is sourced from PubChem (CID 69091035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).