3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one

C20H20O6 — CID 11760063

IUPAC3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2)cc1OC
InChIInChI=1S/C20H20O6/c1-22-15-7-5-12(9-17(15)24-3)14-11-26-20(21)19(14)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3
InChIKeyFGMQIGBHXSBGMS-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.19
Rot. Bonds6

About 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one

3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one (PubChem CID 11760063) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one
PubChem CID11760063
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2)cc1OC
InChIInChI=1S/C20H20O6/c1-22-15-7-5-12(9-17(15)24-3)14-11-26-20(21)19(14)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3
InChIKeyFGMQIGBHXSBGMS-UHFFFAOYSA-N
XLogP3.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one (CID 11760063) is 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one is COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2)cc1OC.
What is the InChIKey of 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one?
The InChIKey is FGMQIGBHXSBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-22-15-7-5-12(9-17(15)24-3)14-11-26-20(21)19(14)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3.
What are the key properties of 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one?
3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one has a molecular weight of 356.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3,4-dimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 11760063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).