2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-
Basic information
- CAS
52042-30-5- Standard SMILES
CCCc1cc(OC)c2c(c1)N(CC(O)CO)C(=O)C(C)O2- InChIKey
NKVJVYUVRMDBEE-UHFFFAOYSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.15762283
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-
- IUPAC
- 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-1,4-benzoxazin-3-one
Names & synonyms
BRN 10159264-(2,3-Dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-2H-1,4-benzoxazin-3(4H)-oneDTXSID309664032-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-propyl-8-methoxy-2,3-dihydro-1,4-benzoxazine2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-RefChem:267943DTXCID40139404052042-30-5SCHEMBL11825665
Database identifiers
- CAS
52042-30-5- PubChem CID
- 3040328
- DTXSID
DTXSID30966403
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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