Indole-5-methanol

C₉H₉NOCAS 1075-25-8147.18 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 swallowed33.3% 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

1075-25-8

SMILES

C1=CC2=C(C=CN2)C=C1CO

InChIKey

ZSHFWQNPJMUBQU-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/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-5-yl)methanol

Work with Indole-5-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-Indole-5-methanamine81881-74-561 % similar (1H-Indazol-5-yl)methanol478828-52-353 % similar 5-Hydroxyindole1953-54-452 % similar 5-Indolylboronic acid144104-59-648 % similar 2-Naphthalenemethanol1592-38-748 % similar 5-Methylindole614-96-048 % similar Indole-5-carbonitrile15861-24-247 % similar 5-Bromoindole10075-50-047 % 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 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

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