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

C25H23NO7 — CID 11633757

IUPAC[6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)nc3)oc2c1
InChIInChI=1S/C25H23NO7/c1-28-16-7-8-17-18(12-16)33-24(14-6-9-21(31-4)26-13-14)22(17)23(27)15-10-19(29-2)25(32-5)20(11-15)30-3/h6-13H,1-5H3
InChIKeyZHJUOQLTCPXPAS-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.77
Rot. Bonds8

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

[6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11633757) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11633757
Molecular FormulaC25H23NO7
Molecular Weight449.46 g/mol
Exact Mass449.15
IUPAC Name[6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)nc3)oc2c1
InChIInChI=1S/C25H23NO7/c1-28-16-7-8-17-18(12-16)33-24(14-6-9-21(31-4)26-13-14)22(17)23(27)15-10-19(29-2)25(32-5)20(11-15)30-3/h6-13H,1-5H3
InChIKeyZHJUOQLTCPXPAS-UHFFFAOYSA-N
XLogP4.77
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 11633757) is [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)nc3)oc2c1.
What is the InChIKey of [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZHJUOQLTCPXPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-28-16-7-8-17-18(12-16)33-24(14-6-9-21(31-4)26-13-14)22(17)23(27)15-10-19(29-2)25(32-5)20(11-15)30-3/h6-13H,1-5H3.
What are the key properties of [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 449.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11633757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).