2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one

C18H14N2O4 — CID 135404314

IUPAC2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
SMILESCOc1ccc2c(c1)C(=O)C(c1[nH]c3ccc(OC)cc3c1O)=N2
InChIInChI=1S/C18H14N2O4/c1-23-9-3-5-13-11(7-9)17(21)15(19-13)16-18(22)12-8-10(24-2)4-6-14(12)20-16/h3-8,19,21H,1-2H3
InChIKeyJIIURXYJEFWVSA-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one

2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one (PubChem CID 135404314) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
PubChem CID135404314
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
SMILESCOc1ccc2c(c1)C(=O)C(c1[nH]c3ccc(OC)cc3c1O)=N2
InChIInChI=1S/C18H14N2O4/c1-23-9-3-5-13-11(7-9)17(21)15(19-13)16-18(22)12-8-10(24-2)4-6-14(12)20-16/h3-8,19,21H,1-2H3
InChIKeyJIIURXYJEFWVSA-UHFFFAOYSA-N
XLogP3.21
TPSA83.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one?
The IUPAC name of 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one (CID 135404314) is 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one.
What is the SMILES notation for 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one?
The canonical SMILES for 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one is COc1ccc2c(c1)C(=O)C(c1[nH]c3ccc(OC)cc3c1O)=N2.
What is the InChIKey of 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one?
The InChIKey is JIIURXYJEFWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-9-3-5-13-11(7-9)17(21)15(19-13)16-18(22)12-8-10(24-2)4-6-14(12)20-16/h3-8,19,21H,1-2H3.
What are the key properties of 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one?
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one has a molecular weight of 322.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one is sourced from PubChem (CID 135404314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).