4,7-dimethoxy-1H-indole

C10H11NO2 — CID 510119

IUPAC4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C10H11NO2/c1-12-8-3-4-9(13-2)10-7(8)5-6-11-10/h3-6,11H,1-2H3
InChIKeyOUDGAYDZZUTPPC-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.19
Rot. Bonds2

About 4,7-dimethoxy-1H-indole

4,7-dimethoxy-1H-indole (PubChem CID 510119) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name4,7-dimethoxy-1H-indole
PubChem CID510119
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2[nH]ccc12
InChIInChI=1S/C10H11NO2/c1-12-8-3-4-9(13-2)10-7(8)5-6-11-10/h3-6,11H,1-2H3
InChIKeyOUDGAYDZZUTPPC-UHFFFAOYSA-N
XLogP2.19
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1H-indole?
The IUPAC name of 4,7-dimethoxy-1H-indole (CID 510119) is 4,7-dimethoxy-1H-indole.
What is the SMILES notation for 4,7-dimethoxy-1H-indole?
The canonical SMILES for 4,7-dimethoxy-1H-indole is COc1ccc(OC)c2[nH]ccc12.
What is the InChIKey of 4,7-dimethoxy-1H-indole?
The InChIKey is OUDGAYDZZUTPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-8-3-4-9(13-2)10-7(8)5-6-11-10/h3-6,11H,1-2H3.
What are the key properties of 4,7-dimethoxy-1H-indole?
4,7-dimethoxy-1H-indole has a molecular weight of 177.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1H-indole is sourced from PubChem (CID 510119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).