5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one

C17H14O5 — CID 782127

IUPAC5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one
SMILESCOc1ccc(OC)c(C2=CC(=Cc3ccco3)C(=O)O2)c1
InChIInChI=1S/C17H14O5/c1-19-12-5-6-15(20-2)14(10-12)16-9-11(17(18)22-16)8-13-4-3-7-21-13/h3-10H,1-2H3
InChIKeyXAKAGYCOHKUGDP-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.28
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one

5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one (PubChem CID 782127) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one
PubChem CID782127
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one
SMILESCOc1ccc(OC)c(C2=CC(=Cc3ccco3)C(=O)O2)c1
InChIInChI=1S/C17H14O5/c1-19-12-5-6-15(20-2)14(10-12)16-9-11(17(18)22-16)8-13-4-3-7-21-13/h3-10H,1-2H3
InChIKeyXAKAGYCOHKUGDP-UHFFFAOYSA-N
XLogP3.28
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(anthracen-9-ylmethylidene)-5-(2,5-dimethoxyphenyl)furan-2-one
CID 6313006
(3E)-5-(2,5-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methylidene]furan-2-one
CID 2256976
(3Z)-5-(2,5-dimethoxyphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 2258161
methyl 4-[[5-(2,5-dimethoxyphenyl)-2-oxofuran-3-ylidene]methyl]benzoate
CID 1356530
(3E)-5-(2,5-dimethoxyphenyl)-3-[(2-nitrophenyl)methylidene]furan-2-one
CID 2256899
3-benzylidene-5-(2,4-dimethoxyphenyl)furan-2-one
CID 867776
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 20831433
(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 1109958
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
CID 1355944
3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642
(3E)-5-(2,4-dimethoxyphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
CID 6509321
(3E)-3-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)furan-2-thione
CID 10779410

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one (CID 782127) is 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one is COc1ccc(OC)c(C2=CC(=Cc3ccco3)C(=O)O2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one?
The InChIKey is XAKAGYCOHKUGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-19-12-5-6-15(20-2)14(10-12)16-9-11(17(18)22-16)8-13-4-3-7-21-13/h3-10H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one?
5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one has a molecular weight of 298.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 782127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).