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

C21H22O7 — CID 142656705

IUPAC4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1cc(OC)cc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)c1
InChIInChI=1S/C21H22O7/c1-23-14-6-13(7-15(10-14)24-2)19-16(11-28-21(19)22)12-8-17(25-3)20(27-5)18(9-12)26-4/h6-10H,11H2,1-5H3
InChIKeyPYLGVACRNWXASN-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.20
Rot. Bonds7

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

4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (PubChem CID 142656705) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
PubChem CID142656705
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1cc(OC)cc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)c1
InChIInChI=1S/C21H22O7/c1-23-14-6-13(7-15(10-14)24-2)19-16(11-28-21(19)22)12-8-17(25-3)20(27-5)18(9-12)26-4/h6-10H,11H2,1-5H3
InChIKeyPYLGVACRNWXASN-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

3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
CID 162399745
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
CID 125282222
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10451790
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
CID 118296068
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 25058711
5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 101050695
5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10413063

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (CID 142656705) is 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is COc1cc(OC)cc(C2=C(c3cc(OC)c(OC)c(OC)c3)COC2=O)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The InChIKey is PYLGVACRNWXASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-23-14-6-13(7-15(10-14)24-2)19-16(11-28-21(19)22)12-8-17(25-3)20(27-5)18(9-12)26-4/h6-10H,11H2,1-5H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
4-(3,5-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-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 142656705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).