3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one

C20H20O6 — CID 10089593

IUPAC3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1
InChIInChI=1S/C20H20O6/c1-22-14-7-5-12(6-8-14)15-11-26-20(21)18(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10H,11H2,1-4H3
InChIKeyIBGFIBLQTNLWCF-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.19
Rot. Bonds6

About 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one

3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (PubChem CID 10089593) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
PubChem CID10089593
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1
InChIInChI=1S/C20H20O6/c1-22-14-7-5-12(6-8-14)15-11-26-20(21)18(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10H,11H2,1-4H3
InChIKeyIBGFIBLQTNLWCF-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'}

Analyze 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one 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

Tangeretin
CID 68077
Eugenyl benzoate
CID 62362
3,4,5-Trimethoxybenzoic Acid
CID 8357
Licochalcone B
CID 5318999
Pentamethylquercetin
CID 97332
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
3,4,5-Trimethoxybenzaldehyde
CID 6858
Methyl 3,4,5-trimethoxybenzoate
CID 15956
Sinensetin
CID 145659
Cabreuvin
CID 628528
5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CID 442583
5,7,3',4'-Tetramethoxyflavone
CID 631170

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (CID 10089593) is 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The InChIKey is IBGFIBLQTNLWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-22-14-7-5-12(6-8-14)15-11-26-20(21)18(15)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10H,11H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-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-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 10089593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).