5,7-dimethoxy-1H-indole

C10H11NO2 — CID 13157096

IUPAC5,7-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2[nH]ccc2c1
InChIInChI=1S/C10H11NO2/c1-12-8-5-7-3-4-11-10(7)9(6-8)13-2/h3-6,11H,1-2H3
InChIKeyACIZYTYDGVHTIZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.19
Rot. Bonds2

About 5,7-dimethoxy-1H-indole

5,7-dimethoxy-1H-indole (PubChem CID 13157096) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name5,7-dimethoxy-1H-indole
PubChem CID13157096
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5,7-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2[nH]ccc2c1
InChIInChI=1S/C10H11NO2/c1-12-8-5-7-3-4-11-10(7)9(6-8)13-2/h3-6,11H,1-2H3
InChIKeyACIZYTYDGVHTIZ-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 5,7-dimethoxy-1H-indole?
The IUPAC name of 5,7-dimethoxy-1H-indole (CID 13157096) is 5,7-dimethoxy-1H-indole.
What is the SMILES notation for 5,7-dimethoxy-1H-indole?
The canonical SMILES for 5,7-dimethoxy-1H-indole is COc1cc(OC)c2[nH]ccc2c1.
What is the InChIKey of 5,7-dimethoxy-1H-indole?
The InChIKey is ACIZYTYDGVHTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-8-5-7-3-4-11-10(7)9(6-8)13-2/h3-6,11H,1-2H3.
What are the key properties of 5,7-dimethoxy-1H-indole?
5,7-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 5,7-dimethoxy-1H-indole is sourced from PubChem (CID 13157096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).