2-methyl-1,5-diphenylpentane-1,3,5-trione

C18H16O3 — CID 14303545

IUPAC2-methyl-1,5-diphenylpentane-1,3,5-trione
SMILESCC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-13(18(21)15-10-6-3-7-11-15)16(19)12-17(20)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyHFKJINVFBJLTCK-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.35
Rot. Bonds6

About 2-methyl-1,5-diphenylpentane-1,3,5-trione

2-methyl-1,5-diphenylpentane-1,3,5-trione (PubChem CID 14303545) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-1,5-diphenylpentane-1,3,5-trione.

Molecular Properties

Compound Name2-methyl-1,5-diphenylpentane-1,3,5-trione
PubChem CID14303545
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-methyl-1,5-diphenylpentane-1,3,5-trione
SMILESCC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O3/c1-13(18(21)15-10-6-3-7-11-15)16(19)12-17(20)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyHFKJINVFBJLTCK-UHFFFAOYSA-N
XLogP3.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
CID 14373878
1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847704
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
N-hydroxy-2-methyl-3-oxo-3-phenylpropanamide
CID 3725961
2-methyl-3-oxo-3-phenylpropanoate
CID 23290395
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
3,5-dioxo-2,5-diphenylpentanoic acid
CID 54247334
erbium;1-phenylbutane-1,3-dione
CID 175058632
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-diphenylpentane-1,3,5-trione?
The IUPAC name of 2-methyl-1,5-diphenylpentane-1,3,5-trione (CID 14303545) is 2-methyl-1,5-diphenylpentane-1,3,5-trione.
What is the SMILES notation for 2-methyl-1,5-diphenylpentane-1,3,5-trione?
The canonical SMILES for 2-methyl-1,5-diphenylpentane-1,3,5-trione is CC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1,5-diphenylpentane-1,3,5-trione?
The InChIKey is HFKJINVFBJLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-13(18(21)15-10-6-3-7-11-15)16(19)12-17(20)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-1,5-diphenylpentane-1,3,5-trione?
2-methyl-1,5-diphenylpentane-1,3,5-trione has a molecular weight of 280.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-diphenylpentane-1,3,5-trione is sourced from PubChem (CID 14303545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).