3-methoxy-6-methyl-1H-indole

C10H11NO — CID 58841092

IUPAC3-methoxy-6-methyl-1H-indole
SMILESCOc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C10H11NO/c1-7-3-4-8-9(5-7)11-6-10(8)12-2/h3-6,11H,1-2H3
InChIKeySXJCLQMZYORFFA-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.48
Rot. Bonds1

About 3-methoxy-6-methyl-1H-indole

3-methoxy-6-methyl-1H-indole (PubChem CID 58841092) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methoxy-6-methyl-1H-indole.

Molecular Properties

Compound Name3-methoxy-6-methyl-1H-indole
PubChem CID58841092
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methoxy-6-methyl-1H-indole
SMILESCOc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C10H11NO/c1-7-3-4-8-9(5-7)11-6-10(8)12-2/h3-6,11H,1-2H3
InChIKeySXJCLQMZYORFFA-UHFFFAOYSA-N
XLogP2.48
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-1H-indole?
The IUPAC name of 3-methoxy-6-methyl-1H-indole (CID 58841092) is 3-methoxy-6-methyl-1H-indole.
What is the SMILES notation for 3-methoxy-6-methyl-1H-indole?
The canonical SMILES for 3-methoxy-6-methyl-1H-indole is COc1c[nH]c2cc(C)ccc12.
What is the InChIKey of 3-methoxy-6-methyl-1H-indole?
The InChIKey is SXJCLQMZYORFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-3-4-8-9(5-7)11-6-10(8)12-2/h3-6,11H,1-2H3.
What are the key properties of 3-methoxy-6-methyl-1H-indole?
3-methoxy-6-methyl-1H-indole has a molecular weight of 161.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-1H-indole is sourced from PubChem (CID 58841092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).