Obtusaquinone deriv jurd 2561
Basic information
- CAS
72590-24-0- Standard SMILES
COc1cc(O)c(Cc2ccc3c(c2)OCO3)cc1O- InChIKey
SQZRFMGIBXROEF-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- Obtusaquinone deriv jurd 2561
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxybenzene-1,4-diol
Names & synonyms
72590-24-0NSC269126OBTUSAQUINONE DERIV JURD 2561DTXSID70313336AG-G-85988NSC-2691262-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxybenzene-1,4-diol
Database identifiers
- CAS
72590-24-0- PubChem CID
- 320681
- DTXSID
DTXSID70313336
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…