5-Benzyloxy-3-(2-hydroxyethyl)indole

HCID 744849CAS 41339-61-1

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Basic information

Standard SMILES: OCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey: SQAUQUOZCKVQND-UHFFFAOYSA-N
Molecular formula: C17H17NO2
Average molar mass: 267.32 g/mol
Monoisotopic mass: 267.12592878

Names & identifiers

Preferred name: 5-Benzyloxy-3-(2-hydroxyethyl)indole
IUPAC: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol
English name: 2-(5-BENZYLOXY-1H-INDOL-3-YL)-ETHANOL
Molecular formula: C17H17NO2
Molecular weight: 267.32

Names & synonyms

41339-61-15-BENZYLOXY-3-(2-HYDROXYETHYL)INDOLEDTXSID90353552RefChem:301334DTXCID403046155-Benzyloxytryptophol2-(5-Benzyloxy-1H-indol-3-yl)-ethanol2-(5-(Benzyloxy)-1H-indol-3-yl)ethanol2-(5-phenylmethoxy-1H-indol-3-yl)ethanol2-[5-(benzyloxy)-1H-indol-3-yl]ethan-1-ol2-(5-Benzyloxy-1H-indol-3-yl)ethanol2-[5-(BENZYLOXY)-1H-INDOL-3-YL]ETHANOL

Show more names

1H-Indole-3-ethanol, 5-(phenylmethoxy)-Cambridge id 5132999A1H3YOprea1_412724Oprea1_515304CBDivE_002577MLS001207209SCHEMBL6388022

Database identifiers

CAS: 41339-61-1
PubChem CID: 744849
DTXSID: DTXSID90353552
ChEMBL: CHEMBL1336341

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 291

Experimental & physicochemical properties

Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 98 · 98-100 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling point: 491.4 · 491.4±35.0 °C(Predicted)
Density: 1.232 · 1.232±0.06 g/cm3(Predicted)
pka: 14.9 · 14.90±0.10(Predicted)