5-Bromo-1H-indole-3-ethanol

C₁₀H₁₀BrNOCAS 32774-29-1240.10 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₀H₁₀BrNO
Molar mass: 240.10 g/mol
Exact mass: 238.9946 Da
logP: 2.47Crippen estimate
Polar surface area: 36.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2

Identifiers

CAS number

32774-29-1

SMILES

OCCc1c[nH]c2ccc(Br)cc12

InChIKey

ZENXDUDCTZLSRP-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2

Weigh it out

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

Names and synonyms

6 names

1H-Indole-3-ethanol, 5-bromo-
Indole-3-ethanol, 5-bromo-
5-Bromo-3-(2-hydroxyethyl)indole
2-(5-Bromo-1H-indol-3-yl)ethanol
5-Bromotryptophol
2-(5-Bromo-1H-indol-3-yl)ethan-1-ol

Work with 5-Bromo-1H-indole-3-ethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxytryptophol712-09-459 % similar 5-Bromo-1H-indole-3-acetamide196081-79-559 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-659 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-258 % similar Tryptophol526-55-657 % similar 5-Bromo-dl-tryptophan6548-09-051 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-149 % similar 5-Bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole143322-57-048 % similar

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

Same formula

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook