1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione

C16H16O4 — CID 43321190

IUPAC1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
SMILESCCCOc1ccc(C(=O)CC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16O4/c1-2-9-19-13-7-5-12(6-8-13)14(17)11-15(18)16-4-3-10-20-16/h3-8,10H,2,9,11H2,1H3
InChIKeyVZMLXPLWKXSVPB-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.52
Rot. Bonds7

About 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione

1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione (PubChem CID 43321190) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
PubChem CID43321190
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
SMILESCCCOc1ccc(C(=O)CC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16O4/c1-2-9-19-13-7-5-12(6-8-13)14(17)11-15(18)16-4-3-10-20-16/h3-8,10H,2,9,11H2,1H3
InChIKeyVZMLXPLWKXSVPB-UHFFFAOYSA-N
XLogP3.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
4-[2-(furan-2-yl)-2-oxoethoxy]benzamide
CID 60624189
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione?
The IUPAC name of 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione (CID 43321190) is 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione?
The canonical SMILES for 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione is CCCOc1ccc(C(=O)CC(=O)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione?
The InChIKey is VZMLXPLWKXSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-9-19-13-7-5-12(6-8-13)14(17)11-15(18)16-4-3-10-20-16/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione?
1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione is sourced from PubChem (CID 43321190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).