Basic information
- CAS
53206-82-9- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(O)CN(C)C- InChIKey
SCYNDZYCBJLQDA-UHFFFAOYSA-N- Molecular formula
- C17H27NO4
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.19400834
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(dimethylamino)propoxy)-, methyl ester
- IUPAC
- methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[2-Hydroxy-3-(dimethylamino)propoxy]-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C17H27NO4
- Molecular weight
- 309.4
Names & synonyms
53206-82-9Methyl 3-(2-hydroxy-3-(dimethylamino)propoxy)-p-cymene-2-carboxylatep-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(dimethylamino)propoxy)-, methyl esterRefChem:367650DTXSID30967718Methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-Hydroxy-3-(dimethylamino)propoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-82-9- PubChem CID
- 40648
- DTXSID
DTXSID30967718- Nikkaji
- J85.306B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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