7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one

C18H15NO4 — CID 67917970

IUPAC7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one
SMILESCOc1ccc2[nH]c(C3OC(=O)c4c(OC)cccc43)cc2c1
InChIInChI=1S/C18H15NO4/c1-21-11-6-7-13-10(8-11)9-14(19-13)17-12-4-3-5-15(22-2)16(12)18(20)23-17/h3-9,17,19H,1-2H3
InChIKeyGQMXIXZYAKBQBH-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.44
Rot. Bonds3

About 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one

7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one (PubChem CID 67917970) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one
PubChem CID67917970
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one
SMILESCOc1ccc2[nH]c(C3OC(=O)c4c(OC)cccc43)cc2c1
InChIInChI=1S/C18H15NO4/c1-21-11-6-7-13-10(8-11)9-14(19-13)17-12-4-3-5-15(22-2)16(12)18(20)23-17/h3-9,17,19H,1-2H3
InChIKeyGQMXIXZYAKBQBH-UHFFFAOYSA-N
XLogP3.44
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one (CID 67917970) is 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one is COc1ccc2[nH]c(C3OC(=O)c4c(OC)cccc43)cc2c1.
What is the InChIKey of 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is GQMXIXZYAKBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-11-6-7-13-10(8-11)9-14(19-13)17-12-4-3-5-15(22-2)16(12)18(20)23-17/h3-9,17,19H,1-2H3.
What are the key properties of 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one?
7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 309.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 67917970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).