1,2-diphenylpentane-1,4-dione

C17H16O2 — CID 13184730

IUPAC1,2-diphenylpentane-1,4-dione
SMILESCC(=O)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyAMFCWRVWMRRFAI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.63
Rot. Bonds5

About 1,2-diphenylpentane-1,4-dione

1,2-diphenylpentane-1,4-dione (PubChem CID 13184730) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,2-diphenylpentane-1,4-dione.

Molecular Properties

Compound Name1,2-diphenylpentane-1,4-dione
PubChem CID13184730
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1,2-diphenylpentane-1,4-dione
SMILESCC(=O)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyAMFCWRVWMRRFAI-UHFFFAOYSA-N
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
1,2,3-triphenylhexane-1,5-dione
CID 538859
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione
CID 59932568
ethyl 2,5-dioxo-3-phenylhexanoate
CID 154710518
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpentane-1,4-dione?
The IUPAC name of 1,2-diphenylpentane-1,4-dione (CID 13184730) is 1,2-diphenylpentane-1,4-dione.
What is the SMILES notation for 1,2-diphenylpentane-1,4-dione?
The canonical SMILES for 1,2-diphenylpentane-1,4-dione is CC(=O)CC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylpentane-1,4-dione?
The InChIKey is AMFCWRVWMRRFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(18)12-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3.
What are the key properties of 1,2-diphenylpentane-1,4-dione?
1,2-diphenylpentane-1,4-dione has a molecular weight of 252.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpentane-1,4-dione is sourced from PubChem (CID 13184730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).