5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one

C24H24O8 — CID 101050695

IUPAC5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc(-c2c3c(cc4c(OC)c(OC)c(OC)cc24)C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C24H24O8/c1-26-17-7-12(8-18(27-2)22(17)30-5)20-13-10-19(28-3)23(31-6)21(29-4)14(13)9-15-16(20)11-32-24(15)25/h7-10H,11H2,1-6H3
InChIKeyPFAXOZIPSJZEPF-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.23
Rot. Bonds7

About 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one

5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one (PubChem CID 101050695) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
PubChem CID101050695
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc(-c2c3c(cc4c(OC)c(OC)c(OC)cc24)C(=O)OC3)cc(OC)c1OC
InChIInChI=1S/C24H24O8/c1-26-17-7-12(8-18(27-2)22(17)30-5)20-13-10-19(28-3)23(31-6)21(29-4)14(13)9-15-16(20)11-32-24(15)25/h7-10H,11H2,1-6H3
InChIKeyPFAXOZIPSJZEPF-UHFFFAOYSA-N
XLogP4.23
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 10500931
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
CID 11750268
5-[tert-butyl(diphenyl)silyl]oxy-9-(3,4,5-trimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
CID 169446908
4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118530000
4-(1,3-benzodioxol-5-yl)-9-hydroxy-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
CID 54329762
4-methoxy-3H-benzo[f][2]benzofuran-1-one
CID 12869115
6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
CID 18325133
4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
9-(1,3-benzodioxol-5-yl)-4-methoxy-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529965
9-[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-3-pyridinyl]-4,6,7-trimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 171059338
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one (CID 101050695) is 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one is COc1cc(-c2c3c(cc4c(OC)c(OC)c(OC)cc24)C(=O)OC3)cc(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is PFAXOZIPSJZEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c1-26-17-7-12(8-18(27-2)22(17)30-5)20-13-10-19(28-3)23(31-6)21(29-4)14(13)9-15-16(20)11-32-24(15)25/h7-10H,11H2,1-6H3.
What are the key properties of 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 440.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 101050695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).