3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione

C19H16O6 — CID 46225317

IUPAC3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
SMILESCOc1cc(C2=C(c3ccccc3)C(=O)OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H16O6/c1-22-13-9-12(10-14(23-2)17(13)24-3)16-15(18(20)25-19(16)21)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyDGTUYXGVLCPASI-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.71
Rot. Bonds5

About 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione

3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione (PubChem CID 46225317) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
PubChem CID46225317
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
SMILESCOc1cc(C2=C(c3ccccc3)C(=O)OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H16O6/c1-22-13-9-12(10-14(23-2)17(13)24-3)16-15(18(20)25-19(16)21)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyDGTUYXGVLCPASI-UHFFFAOYSA-N
XLogP2.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22432988
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10253459
3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
2,3-dimethoxy-5-phenylphenol
CID 135042969
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
The IUPAC name of 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione (CID 46225317) is 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione.
What is the SMILES notation for 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
The canonical SMILES for 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione is COc1cc(C2=C(c3ccccc3)C(=O)OC2=O)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
The InChIKey is DGTUYXGVLCPASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-13-9-12(10-14(23-2)17(13)24-3)16-15(18(20)25-19(16)21)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione has a molecular weight of 340.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione is sourced from PubChem (CID 46225317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).