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Basic information
- Standard SMILES
COc1ccc(C2=NOC(c3cc(OC)c(OC)c(OC)c3)C2)cc1O- InChIKey
ZXBWKOQIWCFRHE-UHFFFAOYSA-N- Molecular formula
- C19H21NO6
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13688739
Names & identifiers
- Preferred name
- 2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-isoxazol-3-yl]-phenol
- IUPAC
- 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenol
Names & synonyms
CHEMBL179381SCHEMBL5689279ZXBWKOQIWCFRHE-UHFFFAOYSA-N2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-isoxazol-3-yl]-phenol
Database identifiers
- PubChem CID
- 11268366
- ChEMBL
CHEMBL179381
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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