5-Methoxyindole
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Melting point
- 56–58 °C
- Boiling point
- 176–178 °C
- logP
- 2.18Crippen estimate
- Polar surface area
- 25.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation96.2% of notifiers
- H319 Causes serious eye irritation96.2% of notifiers
- H335 May cause respiratory irritation94.2% of notifiers
Aggregated from 52 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
1006-94-6SMILES
COc1ccc2[nH]ccc2c1InChIKey
DWAQDRSOVMLGRQ-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Indole, 5-methoxy-
- Indole, 5-methoxy-
- 5-Methoxy-1H-indole
- Femedol
- NSC 521752
- Indol-5-yl methyl ether
Work with 5-Methoxyindole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
6-Methoxyindole3189-13-772 % similar
5-Ethoxy-1H-indole10501-17-461 % similar
5,6-Dimethoxyindole14430-23-058 % similar
2,6-Dimethoxynaphthalene5486-55-556 % similar
2,7-Dimethoxynaphthalene3469-26-954 % similar
5-Methylindole614-96-053 % similar
5-Methoxy-2-methylindole1076-74-053 % similar
5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.