4,6-dimethoxy-1H-indole

C10H11NO2 — CID 828760

IUPAC4,6-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C10H11NO2/c1-12-7-5-9-8(3-4-11-9)10(6-7)13-2/h3-6,11H,1-2H3
InChIKeyNRQBTNARWALYSB-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.19
Rot. Bonds2

About 4,6-dimethoxy-1H-indole

4,6-dimethoxy-1H-indole (PubChem CID 828760) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4,6-dimethoxy-1H-indole.

Molecular Properties

Compound Name4,6-dimethoxy-1H-indole
PubChem CID828760
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4,6-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C10H11NO2/c1-12-7-5-9-8(3-4-11-9)10(6-7)13-2/h3-6,11H,1-2H3
InChIKeyNRQBTNARWALYSB-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

Analyze 4,6-dimethoxy-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pindolol
CID 4828
O-Methylbufotenine
CID 1832
Harmaline
CID 3564
Harmine
CID 5280953
5-Methoxytryptamine
CID 1833
Arvelexin
CID 119406
1H-indol-4-ol
CID 75421
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxytryptophol
CID 12835
Harmine Hydrochloride
CID 5359389
(-)-Pindolol
CID 688095
5-Methoxyindole
CID 13872

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1H-indole?
The IUPAC name of 4,6-dimethoxy-1H-indole (CID 828760) is 4,6-dimethoxy-1H-indole.
What is the SMILES notation for 4,6-dimethoxy-1H-indole?
The canonical SMILES for 4,6-dimethoxy-1H-indole is COc1cc(OC)c2cc[nH]c2c1.
What is the InChIKey of 4,6-dimethoxy-1H-indole?
The InChIKey is NRQBTNARWALYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-7-5-9-8(3-4-11-9)10(6-7)13-2/h3-6,11H,1-2H3.
What are the key properties of 4,6-dimethoxy-1H-indole?
4,6-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 4,6-dimethoxy-1H-indole is sourced from PubChem (CID 828760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).