9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C22H20O7 — CID 10500931

IUPAC9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)cc24)C(=O)OC3)cc1OC
InChIInChI=1S/C22H20O7/c1-25-15-6-5-11(7-16(15)26-2)19-12-8-17(27-3)18(28-4)9-13(12)21(23)20-14(19)10-29-22(20)24/h5-9,23H,10H2,1-4H3
InChIKeyFVSOJKSBEJNDEM-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.92
Rot. Bonds5

About 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 10500931) has the molecular formula C22H20O7 and a molecular weight of 396.40 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID10500931
Molecular FormulaC22H20O7
Molecular Weight396.40 g/mol
Exact Mass396.12
IUPAC Name9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)cc24)C(=O)OC3)cc1OC
InChIInChI=1S/C22H20O7/c1-25-15-6-5-11(7-16(15)26-2)19-12-8-17(27-3)18(28-4)9-13(12)21(23)20-14(19)10-29-22(20)24/h5-9,23H,10H2,1-4H3
InChIKeyFVSOJKSBEJNDEM-UHFFFAOYSA-N
XLogP3.92
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-benzodioxol-5-yl)-9-hydroxy-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
CID 54329762
5,6,7-trimethoxy-9-(3,4,5-trimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 101050695
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
CID 19688731
5-(3,4-dimethoxyphenyl)-9-methoxy-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 162850692
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 156582406
9-(1,3-benzodioxol-5-yl)-4-methoxy-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529965
4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
CID 139081940
9-[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-3-pyridinyl]-4,6,7-trimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 171059338
4-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]butanenitrile
CID 139511855

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 10500931) is 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is COc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)cc24)C(=O)OC3)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is FVSOJKSBEJNDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O7/c1-25-15-6-5-11(7-16(15)26-2)19-12-8-17(27-3)18(28-4)9-13(12)21(23)20-14(19)10-29-22(20)24/h5-9,23H,10H2,1-4H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 396.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 10500931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).