3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
70452-26-5- Standard SMILES
COc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1- InChIKey
WOVYMECRFRPIIW-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.10010796
Names & identifiers
- Preferred name
- 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
- IUPAC
- 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
- English name
- 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
- Molecular formula
- C17H15NO4
- Molecular weight
- 297.31
Names & synonyms
70452-26-53-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one3-Hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-oneCHEMBL3360387MFCD005607073-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-oneNSC297831Cambridge id 5214769Oprea1_331180Oprea1_629337CBDivE_003873
Show more names
3-Hydroxy-3-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-1,3-dihydro-indol-2-one2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-
SCHEMBL15337338DTXSID10315834BDBM50523834STK047028AKOS000577620AKOS016038159CCG-121317NSC-297831
Database identifiers
- CAS
70452-26-5- PubChem CID
- 326412
- DTXSID
DTXSID10315834- ChEMBL
CHEMBL3360387
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 187 · 187-189 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 574.6 · 574.6±50.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 11.46 · 11.46±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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