chempirical

5-Methoxytryptophol

C11H13NO2CAS 712-09-4191.23 g/mol

Open in Covalent MOL file
OHNOH
AlcoholEther

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Boiling point
194 °C
logP
1.71Crippen estimate
Polar surface area
45.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
712-09-4
SMILES
COc1ccc2[nH]cc(CCO)c2c1
InChIKey
QLWKTGDEPLRFAT-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Indole-3-ethanol, 5-methoxy-
  • Indole-3-ethanol, 5-methoxy-
  • 5-Methoxy-1H-indole-3-ethanol
  • 3-(2-Hydroxyethyl)-5-methoxyindole
  • 2-(5-Methoxy-1H-indol-3-yl)ethanol
  • 2-(5-Methoxy-1H-indol-3-yl)ethan-1-ol

Work with 5-Methoxytryptophol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxytryptamine608-07-168 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-065 % similar Mexamine66-83-163 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-363 % similar 5-Methoxyindoleacetic acid3471-31-660 % similar 5-Methoxy-N,N-diisopropyltryptamine4021-34-560 % similar Melatonin73-31-460 % similar 5-Bromo-1H-indole-3-ethanol32774-29-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-1 3-(4-Morpholinyl)benzaldehyde446866-87-1

Elsewhere

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