3-phenacyl-1,5-diphenylpentane-1,5-dione

C25H22O3 — CID 10547136

IUPAC3-phenacyl-1,5-diphenylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3/c26-23(20-10-4-1-5-11-20)16-19(17-24(27)21-12-6-2-7-13-21)18-25(28)22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKeyZFVSZILHFGMCTD-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.42
Rot. Bonds9

About 3-phenacyl-1,5-diphenylpentane-1,5-dione

3-phenacyl-1,5-diphenylpentane-1,5-dione (PubChem CID 10547136) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-phenacyl-1,5-diphenylpentane-1,5-dione.

Molecular Properties

Compound Name3-phenacyl-1,5-diphenylpentane-1,5-dione
PubChem CID10547136
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name3-phenacyl-1,5-diphenylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3/c26-23(20-10-4-1-5-11-20)16-19(17-24(27)21-12-6-2-7-13-21)18-25(28)22-14-8-3-9-15-22/h1-15,19H,16-18H2
InChIKeyZFVSZILHFGMCTD-UHFFFAOYSA-N
XLogP5.42
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
4-bromo-3-hydroxy-1-phenylbutan-1-one
CID 13032297
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
tris(carboxymethyl)-phenacylphosphanium
CID 139734729
3-iodo-1-phenylpentan-1-one
CID 22934254
3,5,5-trifluoro-1-phenylpentane-1,4-dione
CID 175401835

Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-1,5-diphenylpentane-1,5-dione?
The IUPAC name of 3-phenacyl-1,5-diphenylpentane-1,5-dione (CID 10547136) is 3-phenacyl-1,5-diphenylpentane-1,5-dione.
What is the SMILES notation for 3-phenacyl-1,5-diphenylpentane-1,5-dione?
The canonical SMILES for 3-phenacyl-1,5-diphenylpentane-1,5-dione is O=C(CC(CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenacyl-1,5-diphenylpentane-1,5-dione?
The InChIKey is ZFVSZILHFGMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c26-23(20-10-4-1-5-11-20)16-19(17-24(27)21-12-6-2-7-13-21)18-25(28)22-14-8-3-9-15-22/h1-15,19H,16-18H2.
What are the key properties of 3-phenacyl-1,5-diphenylpentane-1,5-dione?
3-phenacyl-1,5-diphenylpentane-1,5-dione has a molecular weight of 370.45 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-1,5-diphenylpentane-1,5-dione is sourced from PubChem (CID 10547136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).