7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile

C20H17NO7 — CID 24786670

IUPAC7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile
SMILESCOc1cc(C(=O)c2c(C#N)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H17NO7/c1-24-12-6-5-11-16(15(9-21)28-19(11)18(12)23)17(22)10-7-13(25-2)20(27-4)14(8-10)26-3/h5-8,23H,1-4H3
InChIKeyBFELXBREUXKJES-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.28
Rot. Bonds6

About 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile

7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile (PubChem CID 24786670) has the molecular formula C20H17NO7 and a molecular weight of 383.36 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile
PubChem CID24786670
Molecular FormulaC20H17NO7
Molecular Weight383.36 g/mol
Exact Mass383.10
IUPAC Name7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile
SMILESCOc1cc(C(=O)c2c(C#N)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H17NO7/c1-24-12-6-5-11-16(15(9-21)28-19(11)18(12)23)17(22)10-7-13(25-2)20(27-4)14(8-10)26-3/h5-8,23H,1-4H3
InChIKeyBFELXBREUXKJES-UHFFFAOYSA-N
XLogP3.28
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile?
The IUPAC name of 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile (CID 24786670) is 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile?
The canonical SMILES for 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile is COc1cc(C(=O)c2c(C#N)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile?
The InChIKey is BFELXBREUXKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO7/c1-24-12-6-5-11-16(15(9-21)28-19(11)18(12)23)17(22)10-7-13(25-2)20(27-4)14(8-10)26-3/h5-8,23H,1-4H3.
What are the key properties of 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile?
7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile has a molecular weight of 383.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 24786670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).