1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone

C11H11NO3 — CID 137092991

IUPAC1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(C)=O)c(O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6(13)10-8-4-3-7(15-2)5-9(8)12-11(10)14/h3-5,12,14H,1-2H3
InChIKeyUQPGQHWXXAMOGN-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.08
Rot. Bonds2

About 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone

1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone (PubChem CID 137092991) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone
PubChem CID137092991
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(C)=O)c(O)[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6(13)10-8-4-3-7(15-2)5-9(8)12-11(10)14/h3-5,12,14H,1-2H3
InChIKeyUQPGQHWXXAMOGN-UHFFFAOYSA-N
XLogP2.08
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone (CID 137092991) is 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone is COc1ccc2c(C(C)=O)c(O)[nH]c2c1.
What is the InChIKey of 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is UQPGQHWXXAMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(13)10-8-4-3-7(15-2)5-9(8)12-11(10)14/h3-5,12,14H,1-2H3.
What are the key properties of 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone?
1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 205.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 137092991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).