5-(2-methoxyethoxy)-1H-indole

HCID 10352537CAS 947380-09-8

Substructure search Find similar structures

Basic information

Standard SMILES: COCCOc1ccc2[nH]ccc2c1
InChIKey: FPLAYGBHGUOPLD-UHFFFAOYSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol

Names & identifiers

Preferred name: 5-(2-methoxyethoxy)-1H-indole
IUPAC: 5-(2-methoxyethoxy)-1H-indole

Names & synonyms

5-(2-methoxyethoxy)-1H-indole947380-09-8RefChem:529561982-198-75-(2-methoxy-ethoxy)-1H-indole5-(2-methoxy-ethoxy)-indoleSCHEMBL1196073FPLAYGBHGUOPLD-UHFFFAOYSA-NXMB38009AKOS017532038DB-332538CS-0230920

Show more names

EN300-106170A1-19297Z1262567107EY9

Database identifiers

CAS: 947380-09-8
PubChem CID: 10352537
EC Number: 982-198-7

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 34.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 175

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.