6-Hydroxymethylindole

C₉H₉NOCAS 1075-26-9147.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
logP: 1.66Crippen estimate
Polar surface area: 36.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1075-26-9

SMILES

C1=CC(=CC2=C1C=CN2)CO

InChIKey

WRMZOPANDOHWJU-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-5,10-11H,6H2

Weigh it out

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

Work with 6-Hydroxymethylindole

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

(1H-Indazol-6-yl)methanol916902-55-153 % similar 6-Hydroxyindole2380-86-152 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-249 % similar 1H-Indol-6-ylboronic acid147621-18-948 % similar 2-Naphthalenemethanol1592-38-748 % similar 6-Methylindole3420-02-848 % similar 1H-Indole-6-carbonitrile15861-36-647 % similar 6-Iodo-1H-indole115666-47-247 % 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 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7 1-Furfurylpyrrole1438-94-4

Elsewhere

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