5-Benzyloxy-3-(2-hydroxyethyl)indole
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Basic information
- CAS
41339-61-1- Standard SMILES
OCCc1c[nH]c2ccc(OCc3ccccc3)cc12- InChIKey
SQAUQUOZCKVQND-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
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 propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 45.3 Ų
- 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)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
11 records
Compound notes
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