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

C21H22O7 — CID 25022806

IUPAC4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)cc1OC
InChIInChI=1S/C21H22O7/c1-23-15-7-6-12(8-16(15)24-2)19-14(11-28-21(19)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10H,11H2,1-5H3
InChIKeyNSERFLUCMWRPGI-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.20
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (PubChem CID 25022806) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
PubChem CID25022806
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)cc1OC
InChIInChI=1S/C21H22O7/c1-23-15-7-6-12(8-16(15)24-2)19-14(11-28-21(19)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10H,11H2,1-5H3
InChIKeyNSERFLUCMWRPGI-UHFFFAOYSA-N
XLogP3.20
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (CID 25022806) is 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The InChIKey is NSERFLUCMWRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-23-15-7-6-12(8-16(15)24-2)19-14(11-28-21(19)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10H,11H2,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one has a molecular weight of 386.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 25022806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).