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

C26H24O7 — CID 22592534

IUPAC[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C26H24O7/c1-28-17-8-6-15(7-9-17)23-19-11-10-18(29-2)14-20(19)33-26(23)24(27)16-12-21(30-3)25(32-5)22(13-16)31-4/h6-14H,1-5H3
InChIKeyKQFNYQFABSZSOF-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.37
Rot. Bonds8

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

[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 22592534) has the molecular formula C26H24O7 and a molecular weight of 448.47 g/mol. Its IUPAC name is [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID22592534
Molecular FormulaC26H24O7
Molecular Weight448.47 g/mol
Exact Mass448.15
IUPAC Name[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc3cc(OC)ccc23)cc1
InChIInChI=1S/C26H24O7/c1-28-17-8-6-15(7-9-17)23-19-11-10-18(29-2)14-20(19)33-26(23)24(27)16-12-21(30-3)25(32-5)22(13-16)31-4/h6-14H,1-5H3
InChIKeyKQFNYQFABSZSOF-UHFFFAOYSA-N
XLogP5.37
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2,3-dihydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-2-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 23549558
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
2-chloro-N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 44579692
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 142051549
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
CID 71555609
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851
3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
CID 143084408

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 22592534) is [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc3cc(OC)ccc23)cc1.
What is the InChIKey of [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KQFNYQFABSZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O7/c1-28-17-8-6-15(7-9-17)23-19-11-10-18(29-2)14-20(19)33-26(23)24(27)16-12-21(30-3)25(32-5)22(13-16)31-4/h6-14H,1-5H3.
What are the key properties of [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 448.47 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 22592534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).