chempirical

4-Chlorotryptophol

C10H10ClNOCAS 41340-30-1195.65 g/mol

Open in Covalent MOL file
ClNHOH
AlcoholAryl halide

Properties

Molecular formula
C10H10ClNO
Molar mass
195.65 g/mol
Exact mass
195.0451 Da
logP
2.36Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
41340-30-1
SMILES
C1=CC2=C(C(=C1)Cl)C(=CN2)CCO
InChIKey
DCAPAWBGZKNLGC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2

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Names and synonyms

1 names
  • 2-(4-Chloro-1H-indol-3-yl)ethanol

Work with 4-Chlorotryptophol

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

4-Chloroindole-3-acetic acid2519-61-157 % similar Tryptophol526-55-657 % similar 2-Chlorobenzeneethanol19819-95-553 % similar 2,6-Dichlorobenzeneethanol30595-79-047 % similar 5-Bromo-1H-indole-3-ethanol32774-29-146 % similar Indole-3-propanol3569-21-946 % similar 4-Chloroindole-3-carbaldehyde876-72-245 % similar 2,4-Dichlorophenethyl alcohol81156-68-545 % similar

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

Same formula

1-Amino-2-naphthol hydrochloride1198-27-2 7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one160129-45-3 2-Amino-1-naphthol hydrochloride41772-23-0 4-Amino-1-naphthol hydrochloride5959-56-8 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one86499-23-2

Elsewhere

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