1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione

C15H14O3 — CID 43321269

IUPAC1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
SMILESCc1cc(C(=O)CC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C15H14O3/c1-10-8-13(11(2)18-10)15(17)9-14(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyANIARQKIJCGOCP-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione

1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione (PubChem CID 43321269) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
PubChem CID43321269
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
SMILESCc1cc(C(=O)CC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C15H14O3/c1-10-8-13(11(2)18-10)15(17)9-14(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyANIARQKIJCGOCP-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
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

1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 43321253
1-(2,5-dimethylfuran-3-yl)-3-(4-nitrophenyl)propane-1,3-dione
CID 43321283
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
1-(3-bromo-4-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 62913901
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 82967731
1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
CID 115792625
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione (CID 43321269) is 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione is Cc1cc(C(=O)CC(=O)c2ccccc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione?
The InChIKey is ANIARQKIJCGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-8-13(11(2)18-10)15(17)9-14(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione?
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione has a molecular weight of 242.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 43321269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).