4-methoxy-1-methylindole

C10H11NO — CID 595238

IUPAC4-methoxy-1-methylindole
SMILESCOc1cccc2c1ccn2C
InChIInChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKeyATEWBFOJLQMYEA-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.19
Rot. Bonds1

About 4-methoxy-1-methylindole

4-methoxy-1-methylindole (PubChem CID 595238) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-methoxy-1-methylindole.

Molecular Properties

Compound Name4-methoxy-1-methylindole
PubChem CID595238
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-methoxy-1-methylindole
SMILESCOc1cccc2c1ccn2C
InChIInChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKeyATEWBFOJLQMYEA-UHFFFAOYSA-N
XLogP2.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylindole?
The IUPAC name of 4-methoxy-1-methylindole (CID 595238) is 4-methoxy-1-methylindole.
What is the SMILES notation for 4-methoxy-1-methylindole?
The canonical SMILES for 4-methoxy-1-methylindole is COc1cccc2c1ccn2C.
What is the InChIKey of 4-methoxy-1-methylindole?
The InChIKey is ATEWBFOJLQMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3.
What are the key properties of 4-methoxy-1-methylindole?
4-methoxy-1-methylindole has a molecular weight of 161.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylindole is sourced from PubChem (CID 595238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).