4-Fluoro-2-methyl-1H-indol-5-ol

C₉H₈FNOCAS 288385-88-6165.17 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₉H₈FNO
Molar mass: 165.17 g/mol
Exact mass: 165.0590 Da
logP: 2.32Crippen estimate
Polar surface area: 36.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin86.4% of notifiers
H302 Harmful if swallowed95.5% of notifiers
H312 Harmful in contact with skin86.4% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation90.9% of notifiers
H400 Very toxic to aquatic life86.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

288385-88-6

SMILES

Cc1cc2c(F)c(O)ccc2[nH]1

InChIKey

UMWRMOYYUHIPDT-UHFFFAOYSA-N

InChI

InChI=1S/C9H8FNO/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,1H3

Weigh it out

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

Names and synonyms

5 names

1H-Indol-5-ol, 4-fluoro-2-methyl-
4-Fluoro-5-hydroxy-2-methylindole
4-Fluoro-5-hydroxy-2-methyl-1H-indole
2-Methyl-4-fluoro-5-hydroxyindole
5-Hydroxy-4-fluoro-2-methylindole

Work with 4-Fluoro-2-methyl-1H-indol-5-ol

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

4,5-Difluoro-2-methylindole85462-60-865 % similar 4-Hydroxy-2-methylindole35320-67-357 % similar 2-Methyl-1H-indol-5-ol13314-85-746 % similar 6-Fluoro-2-methylquinolin-4-ol15912-68-244 % similar 5-Fluoro-2-methylindole399-72-442 % similar 2-Fluoro-3-methylphenol77772-72-638 % similar 4-Hydroxy-2-methylquinoline607-67-038 % similar 4-Amino-2-methylquinoline6628-04-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methoxyphenylacetonitrile404-90-0 6-Fluoro-5-methoxy-1H-indole63762-83-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook