[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone

C26H24O8 — CID 23549558

IUPAC[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
SMILESCOc1ccc2c(-c3ccc(OC)c(O)c3O)c(C(=O)c3cc(C)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C26H24O8/c1-13-10-14(11-20(32-4)25(13)33-5)22(27)26-21(16-7-6-15(30-2)12-19(16)34-26)17-8-9-18(31-3)24(29)23(17)28/h6-12,28-29H,1-5H3
InChIKeyOEVJZROEEMKFQE-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.08
Rot. Bonds7

About [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone

[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone (PubChem CID 23549558) has the molecular formula C26H24O8 and a molecular weight of 464.47 g/mol. Its IUPAC name is [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
PubChem CID23549558
Molecular FormulaC26H24O8
Molecular Weight464.47 g/mol
Exact Mass464.15
IUPAC Name[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
SMILESCOc1ccc2c(-c3ccc(OC)c(O)c3O)c(C(=O)c3cc(C)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C26H24O8/c1-13-10-14(11-20(32-4)25(13)33-5)22(27)26-21(16-7-6-15(30-2)12-19(16)34-26)17-8-9-18(31-3)24(29)23(17)28/h6-12,28-29H,1-5H3
InChIKeyOEVJZROEEMKFQE-UHFFFAOYSA-N
XLogP5.08
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 44579692
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
CID 71555609
ethane;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 145310419
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
(4-methyl-2-oxochromen-7-yl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 1181224

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The IUPAC name of [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone (CID 23549558) is [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone.
What is the SMILES notation for [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The canonical SMILES for [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone is COc1ccc2c(-c3ccc(OC)c(O)c3O)c(C(=O)c3cc(C)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The InChIKey is OEVJZROEEMKFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O8/c1-13-10-14(11-20(32-4)25(13)33-5)22(27)26-21(16-7-6-15(30-2)12-19(16)34-26)17-8-9-18(31-3)24(29)23(17)28/h6-12,28-29H,1-5H3.
What are the key properties of [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone has a molecular weight of 464.47 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 23549558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).