Indole-4-methanol

C₉H₉NOCAS 1074-85-7147.18 g/mol

Open in Covalent MOL file

Alcohol

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

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1074-85-7

SMILES

C1=CC(=C2C=CNC2=C1)CO

InChIKey

BVSGXWCTWBZFEV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1H-Indol-4-ylmethanol

Work with Indole-4-methanol

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-Indol-4-yl)methanamine3468-18-661 % similar Indole-3-carbinol700-06-158 % similar 1H-Indol-4-ol2380-94-152 % similar 4-Chloroindole25235-85-248 % similar 1-Naphthalenemethanol4780-79-448 % similar 4-Bromoindole52488-36-548 % similar Indole-4-boronic acid220465-43-047 % similar 4-Methylindole16096-32-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 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 1-Furfurylpyrrole1438-94-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook