1H-indol-3-yloxymethanol

C9H9NO2 — CID 169101748

IUPAC1H-indol-3-yloxymethanol
SMILESOCOc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO2/c11-6-12-9-5-10-8-4-2-1-3-7(8)9/h1-5,10-11H,6H2
InChIKeyDSYYQXFADOXXIS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.50
Rot. Bonds2

About 1H-indol-3-yloxymethanol

1H-indol-3-yloxymethanol (PubChem CID 169101748) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1H-indol-3-yloxymethanol.

Molecular Properties

Compound Name1H-indol-3-yloxymethanol
PubChem CID169101748
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1H-indol-3-yloxymethanol
SMILESOCOc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO2/c11-6-12-9-5-10-8-4-2-1-3-7(8)9/h1-5,10-11H,6H2
InChIKeyDSYYQXFADOXXIS-UHFFFAOYSA-N
XLogP1.50
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yloxy)ethyl-trimethylazanium
CID 173099162
CID 174586583
CID 174586583
N-(1H-indol-3-yloxymethyl)-N-methylethanamine
CID 68875687
3-methylperoxy-1H-indole
CID 21122990
3-(bromomethoxy)-1H-quinolin-4-one
CID 156738403
1H-indol-3-yloxy hydrogen sulfate
CID 141479579
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
(1H-indol-3-ylmethylamino)methanol
CID 115228988
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
benzene;naphthalen-1-yloxymethanol
CID 70447137
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yloxymethanol?
The IUPAC name of 1H-indol-3-yloxymethanol (CID 169101748) is 1H-indol-3-yloxymethanol.
What is the SMILES notation for 1H-indol-3-yloxymethanol?
The canonical SMILES for 1H-indol-3-yloxymethanol is OCOc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yloxymethanol?
The InChIKey is DSYYQXFADOXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-12-9-5-10-8-4-2-1-3-7(8)9/h1-5,10-11H,6H2.
What are the key properties of 1H-indol-3-yloxymethanol?
1H-indol-3-yloxymethanol has a molecular weight of 163.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yloxymethanol is sourced from PubChem (CID 169101748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).