1-Isoquinolinemethanol

C₁₀H₉NOCAS 27311-63-3159.19 g/mol

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Properties

Molecular formula: C₁₀H₉NO
Molar mass: 159.19 g/mol
Exact mass: 159.0684 Da
logP: 1.73Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

27311-63-3

SMILES

C1=CC=C2C(=C1)C=CN=C2CO

InChIKey

HQABEHZXAJHCLV-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2

Weigh it out

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Names and synonyms

1 names

1-(Hydroxymethyl)isoquinoline

Work with 1-Isoquinolinemethanol

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

1(2H)-Isoquinolinone491-30-553 % similar 1-Naphthalenemethanol4780-79-448 % similar 1-Bromoisoquinoline1532-71-447 % similar 1-Methylisoquinoline1721-93-347 % similar 1-Chloroisoquinoline19493-44-847 % similar Phenylisoquinoline3297-72-147 % similar (3-Bromopyridin-2-yl)methanol52378-64-045 % similar 1-Isoquinolinecarbonitrile1198-30-744 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Amino-2-naphthol2834-92-6 4-Methoxycinnamonitrile28446-68-6

Elsewhere

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