ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate

HCID 253116

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Basic information

CAS: 75238-44-7
Standard SMILES: CCOC(=O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey: GEOTYZHKCQCORI-UHFFFAOYSA-N
Molecular formula: C19H17NO4
Average molar mass: 323.3 g/mol
Monoisotopic mass: 323.11575802

Names & identifiers

Preferred name: ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate
IUPAC: ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate
English name: 5-Benzyloxyindole-3-glyoxylic acid ethyl ester
Molecular formula: C19H17NO4
Molecular weight: 323.34

Names & synonyms

75238-44-7ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate5-benzyloxyindole-3-glyoxylic acid ethyl esterEthyl 2-[5-(Benzyloxy)-3-indolyl]-2-oxoacetateEthyl5-benzyloxyindole-3-glyoxylateMFCD000227232-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid ethyl esterEthyl 5-benzyloxyindole-3-glyoxylateNSC75566NCIOpen2_008431SCHEMBL11620503DTXSID70291443

Show more names

5-BzlO-IGA-OEtethyl 2-(5-(benzyloxy)-1H-indol-3-yl)-2-oxoacetateα-Oxo-5-(phenylmethoxy)-1H-indole-3-acetic Acid Ethyl Ester1H-Indole-3-acetic acid, α-oxo-5-(phenylmethoxy)-, ethyl esterα-?Oxo-?5-?(phenylmethoxy)?-?1H-?indole-?3-?acetic Acid Ethyl Ester

GEOTYZHKCQCORI-UHFFFAOYSA-NAC6751ethyl 5-benzyloxy-3-indoleglyoxalateNSC-75566FB172019SY058567DB-055947B-2052

Database identifiers

CAS: 75238-44-7
PubChem CID: 253116
DTXSID: DTXSID70291443

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 447

Physicochemical properties

storage temp.: Room Temperature
solubility: Methanol, THF
form: Powder
color: Yellow

Chemistry & industry

Applications

Usesα-Oxo-5-(phenylmethoxy)-1H-indole-3-acetic Acid Ethyl Ester is an intermediate in synthesizing 5-Hydroxy Tryptophol-d4 β-D-Glucuronide (H976012), a labelled metabolite of 5-Hydroxytryptamine (H974990).