Basic information
- CAS
53206-84-1- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(O)CN1CCOCC1- InChIKey
XMGWVESVLPTSKA-UHFFFAOYSA-N- Molecular formula
- C19H29NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.20457303
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-morpholinopropoxy)-, methyl ester
- IUPAC
- methyl 2-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-(2-Hydroxy-3-morpholinopropoxy)-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C19H29NO5
- Molecular weight
- 351.44
Names & synonyms
53206-84-1Methyl 3-(2-hydroxy-3-morpholinopropoxy)-p-cymene-2-carboxylatep-CYMENE-2-CARBOXYLIC ACID, 3-(2-HYDROXY-3-MORPHOLINOPROPOXY)-, METHYL ESTERRefChem:367655DTXSID00967720Methyl 2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-6-methyl-3-(propan-2-yl)benzoate3-(2-Hydroxy-3-morpholinopropoxy)-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-hydroxy-3-(4-morpholinyl)propoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53206-84-1- PubChem CID
- 40650
- DTXSID
DTXSID00967720- Nikkaji
- J85.315A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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