2H-1-Benzopyran-3,4-diol, 3,4-dihydro-7-methoxy-2,2-dimethyl-, (3R-trans)-
Basic information
- CAS
82864-22-0- Standard SMILES
COc1ccc2c(c1)OC(C)(C)[C@H](O)[C@H]2O- InChIKey
VYQZZUGIBSTOAP-WDEREUQCSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3,4-diol, 3,4-dihydro-7-methoxy-2,2-dimethyl-, (3R-trans)-
- IUPAC
- (3R,4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
Names & synonyms
82864-22-0(3R,4S)-7-Methoxy-2,2-dimethylchroman-3,4-diol(3R,4S)-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3,4-diol2H-1-Benzopyran-3,4-diol, 3,4-dihydro-7-methoxy-2,2-dimethyl-, (3R-trans)-
Database identifiers
- CAS
82864-22-0- PubChem CID
- 187348
- Nikkaji
- J743.840K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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