4-Hydroxy-2-methylindole

C₉H₉NOCAS 35320-67-3147.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
logP: 2.18Crippen estimate
Polar surface area: 36.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

35320-67-3

SMILES

CC1=CC2=C(N1)C=CC=C2O

InChIKey

XBVSGEGNQZAQPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5,10-11H,1H3

Weigh it out

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

Work with 4-Hydroxy-2-methylindole

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-Fluoro-2-methyl-1H-indol-5-ol288385-88-657 % similar 4-Hydroxy-2-methylquinoline607-67-049 % similar 4-Amino-2-methylquinoline6628-04-249 % similar 4-Hydroxycarbazole52602-39-847 % similar 2-Methylindole95-20-547 % similar 1H-Indol-4-ol2380-94-145 % similar 4,5-Difluoro-2-methylindole85462-60-843 % similar 1H-Indazol-4-ol81382-45-843 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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