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

C15H14O5 — CID 43321207

IUPAC1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H14O5/c1-18-14-6-5-10(8-15(14)19-2)11(16)9-12(17)13-4-3-7-20-13/h3-8H,9H2,1-2H3
InChIKeyWCEOHNXUJNAEGU-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.75
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione (PubChem CID 43321207) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
PubChem CID43321207
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
SMILESCOc1ccc(C(=O)CC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H14O5/c1-18-14-6-5-10(8-15(14)19-2)11(16)9-12(17)13-4-3-7-20-13/h3-8H,9H2,1-2H3
InChIKeyWCEOHNXUJNAEGU-UHFFFAOYSA-N
XLogP2.75
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
1-(furan-2-yl)-3-(4-propoxyphenyl)propane-1,3-dione
CID 43321190
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
1-(furan-2-yl)-2-(2-methoxy-4-nitrophenoxy)ethanone
CID 62109954
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione (CID 43321207) is 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione is COc1ccc(C(=O)CC(=O)c2ccco2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione?
The InChIKey is WCEOHNXUJNAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-18-14-6-5-10(8-15(14)19-2)11(16)9-12(17)13-4-3-7-20-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione?
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione has a molecular weight of 274.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione is sourced from PubChem (CID 43321207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).