1-(3,4,5-Trimethoxybenzoyl)indoline
Basic information
- CAS
313496-16-1- Standard SMILES
COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC- InChIKey
YPTWMTJCWNQSNF-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethoxybenzoyl)indoline
- IUPAC
- 2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- indolin-1-yl(3,4,5-trimethoxyphenyl)methanone
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
1-(3,4,5-trimethoxybenzoyl)indoline313496-16-12,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanoneindolin-1-yl(3,4,5-trimethoxyphenyl)methanoneF1012-0008Oprea1_194727Oprea1_583294CBDivE_000360MLS001209856CHEMBL1254747SCHEMBL31556806DTXSID901325391
Show more names
Methanone, (2,3-dihydro-1H-indol-1-yl)(3,4,5-trimethoxyphenyl)-
HMS1673A16HMS2843C16SMSSF-0271274(2,3-Dihydro-indol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanoneSTK058161AKOS000490380indolinyl 3,4,5-trimethoxyphenyl ketoneSMR000518167
Database identifiers
- CAS
313496-16-1- PubChem CID
- 729922
- DTXSID
DTXSID901325391- ChEMBL
CHEMBL1254747
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
Solubility40.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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