3-propoxy-1H-indol-2-ol

C11H13NO2 — CID 54179450

IUPAC3-propoxy-1H-indol-2-ol
SMILESCCCOc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H13NO2/c1-2-7-14-10-8-5-3-4-6-9(8)12-11(10)13/h3-6,12-13H,2,7H2,1H3
InChIKeyVKNSLGDMLTXJLQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.66
Rot. Bonds3

About 3-propoxy-1H-indol-2-ol

3-propoxy-1H-indol-2-ol (PubChem CID 54179450) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-propoxy-1H-indol-2-ol.

Molecular Properties

Compound Name3-propoxy-1H-indol-2-ol
PubChem CID54179450
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-propoxy-1H-indol-2-ol
SMILESCCCOc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H13NO2/c1-2-7-14-10-8-5-3-4-6-9(8)12-11(10)13/h3-6,12-13H,2,7H2,1H3
InChIKeyVKNSLGDMLTXJLQ-UHFFFAOYSA-N
XLogP2.66
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1H-indol-2-ol?
The IUPAC name of 3-propoxy-1H-indol-2-ol (CID 54179450) is 3-propoxy-1H-indol-2-ol.
What is the SMILES notation for 3-propoxy-1H-indol-2-ol?
The canonical SMILES for 3-propoxy-1H-indol-2-ol is CCCOc1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-propoxy-1H-indol-2-ol?
The InChIKey is VKNSLGDMLTXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-7-14-10-8-5-3-4-6-9(8)12-11(10)13/h3-6,12-13H,2,7H2,1H3.
What are the key properties of 3-propoxy-1H-indol-2-ol?
3-propoxy-1H-indol-2-ol has a molecular weight of 191.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1H-indol-2-ol is sourced from PubChem (CID 54179450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).