Basic information
- CAS
27294-08-2- Standard SMILES
CCOC(=O)c1[nH]c2ccc(OC)cc2c1-c1ccccc1- InChIKey
DOIDLAVLCKENCM-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- ethyl 5-methoxy-3-phenyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-methoxy-3-phenyl-1H-indole-2-carboxylate
- English name
- 5-methoxy-3-phenyl-1H-indole-2-carboxylic acid ethyl ester
- Molecular formula
- C18H17NO3
- Molecular weight
- 295.33
Names & synonyms
ethyl 5-methoxy-3-phenyl-1H-indole-2-carboxylate27294-08-2DTXSID90359190RefChem:344390DTXCID70310244MFCD000545391H-Indole-2-carboxylic acid, 5-methoxy-3-phenyl-, ethyl ester5-Methoxy-3-phenyl-1H-indole-2-carboxylic acid ethyl esterSCHEMBL4592574DOIDLAVLCKENCM-UHFFFAOYSA-NALBB-027976STK553423
Show more names
AKOS004119804LS-09708DB-385515CS-0320568H43793ethyl5-methoxy-3-phenyl-1H-indole-2-carboxylate
Database identifiers
- CAS
27294-08-2- PubChem CID
- 950616
- DTXSID
DTXSID90359190- Nikkaji
- J2.677.604J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 113.5 · 113.5-114.5 °C
- Boiling point
- 507.6 · 507.6±50.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.30(Predicted)
Chemistry & industry
Suppliers2 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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