4,6-diphenylnona-1,8-dien-5-one

C21H22O — CID 69419927

IUPAC4,6-diphenylnona-1,8-dien-5-one
SMILESC=CCC(C(=O)C(CC=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-3-11-19(17-13-7-5-8-14-17)21(22)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2
InChIKeyBCOOSBXSXZBMHP-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.28
Rot. Bonds8

About 4,6-diphenylnona-1,8-dien-5-one

4,6-diphenylnona-1,8-dien-5-one (PubChem CID 69419927) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4,6-diphenylnona-1,8-dien-5-one.

Molecular Properties

Compound Name4,6-diphenylnona-1,8-dien-5-one
PubChem CID69419927
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name4,6-diphenylnona-1,8-dien-5-one
SMILESC=CCC(C(=O)C(CC=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O/c1-3-11-19(17-13-7-5-8-14-17)21(22)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2
InChIKeyBCOOSBXSXZBMHP-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.28
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

3-phenylhexa-1,5-dien-2-ol
CID 173444348
ethyl 3-oxo-4-phenylhept-6-enoate
CID 11746930
N,N-dimethyl-2-phenylpent-4-eneselenoamide
CID 11323079
(2S)-2-phenylhex-5-enoic acid
CID 92982258
2-phenyl-1-propylsulfanylpent-4-ene-1-selone
CID 11066415
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
2-phenyl-1-propan-2-ylsulfanylpent-4-ene-1-selone
CID 101019943
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
ethenyl 2-phenylbutanoate
CID 10932238

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylnona-1,8-dien-5-one?
The IUPAC name of 4,6-diphenylnona-1,8-dien-5-one (CID 69419927) is 4,6-diphenylnona-1,8-dien-5-one.
What is the SMILES notation for 4,6-diphenylnona-1,8-dien-5-one?
The canonical SMILES for 4,6-diphenylnona-1,8-dien-5-one is C=CCC(C(=O)C(CC=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-diphenylnona-1,8-dien-5-one?
The InChIKey is BCOOSBXSXZBMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-3-11-19(17-13-7-5-8-14-17)21(22)20(12-4-2)18-15-9-6-10-16-18/h3-10,13-16,19-20H,1-2,11-12H2.
What are the key properties of 4,6-diphenylnona-1,8-dien-5-one?
4,6-diphenylnona-1,8-dien-5-one has a molecular weight of 290.41 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylnona-1,8-dien-5-one is sourced from PubChem (CID 69419927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).