1,5-diphenyloct-1-ene-3,6-dione

C20H20O2 — CID 71384497

IUPAC1,5-diphenyloct-1-ene-3,6-dione
SMILESCCC(=O)C(CC(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-20(22)19(17-11-7-4-8-12-17)15-18(21)14-13-16-9-5-3-6-10-16/h3-14,19H,2,15H2,1H3
InChIKeyLJXFUNSCLLIHDO-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.42
Rot. Bonds7

About 1,5-diphenyloct-1-ene-3,6-dione

1,5-diphenyloct-1-ene-3,6-dione (PubChem CID 71384497) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,5-diphenyloct-1-ene-3,6-dione.

Molecular Properties

Compound Name1,5-diphenyloct-1-ene-3,6-dione
PubChem CID71384497
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1,5-diphenyloct-1-ene-3,6-dione
SMILESCCC(=O)C(CC(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-20(22)19(17-11-7-4-8-12-17)15-18(21)14-13-16-9-5-3-6-10-16/h3-14,19H,2,15H2,1H3
InChIKeyLJXFUNSCLLIHDO-UHFFFAOYSA-N
XLogP4.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
(E)-5-hydroxy-1-phenylnon-1-en-3-one
CID 11264760
1-phenylpropan-1-ol;3-phenylprop-2-enoic acid
CID 174889683
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
CID 142088142
(E)-6,6,6-trifluoro-5-hydroxy-1-phenylhex-1-en-3-one
CID 15255295
(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
CID 92522992
(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
ethanol;3-phenylprop-2-enoic acid
CID 158830805

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyloct-1-ene-3,6-dione?
The IUPAC name of 1,5-diphenyloct-1-ene-3,6-dione (CID 71384497) is 1,5-diphenyloct-1-ene-3,6-dione.
What is the SMILES notation for 1,5-diphenyloct-1-ene-3,6-dione?
The canonical SMILES for 1,5-diphenyloct-1-ene-3,6-dione is CCC(=O)C(CC(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-diphenyloct-1-ene-3,6-dione?
The InChIKey is LJXFUNSCLLIHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-20(22)19(17-11-7-4-8-12-17)15-18(21)14-13-16-9-5-3-6-10-16/h3-14,19H,2,15H2,1H3.
What are the key properties of 1,5-diphenyloct-1-ene-3,6-dione?
1,5-diphenyloct-1-ene-3,6-dione has a molecular weight of 292.38 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyloct-1-ene-3,6-dione is sourced from PubChem (CID 71384497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).