4-methoxy-2H-indole

C9H9NO — CID 149452105

IUPAC4-methoxy-2H-indole
SMILESCOc1cccc2c1=CCN=2
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-5H,6H2,1H3
InChIKeyYXVOBCFRECJEGQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.11
Rot. Bonds1

About 4-methoxy-2H-indole

4-methoxy-2H-indole (PubChem CID 149452105) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methoxy-2H-indole.

Molecular Properties

Compound Name4-methoxy-2H-indole
PubChem CID149452105
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-methoxy-2H-indole
SMILESCOc1cccc2c1=CCN=2
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-5H,6H2,1H3
InChIKeyYXVOBCFRECJEGQ-UHFFFAOYSA-N
XLogP0.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-indole?
The IUPAC name of 4-methoxy-2H-indole (CID 149452105) is 4-methoxy-2H-indole.
What is the SMILES notation for 4-methoxy-2H-indole?
The canonical SMILES for 4-methoxy-2H-indole is COc1cccc2c1=CCN=2.
What is the InChIKey of 4-methoxy-2H-indole?
The InChIKey is YXVOBCFRECJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-5H,6H2,1H3.
What are the key properties of 4-methoxy-2H-indole?
4-methoxy-2H-indole has a molecular weight of 147.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-indole is sourced from PubChem (CID 149452105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).