2H-1-Benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxy-3-methylphenyl)-7-methoxy-
Basic information
- CAS
116139-52-7- Standard SMILES
COc1ccc2c(c1)OC(c1ccc(O)c(C)c1)C(O)C2- InChIKey
BVZKYKMYKRBBCV-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxy-3-methylphenyl)-7-methoxy-
- IUPAC
- 2-(4-hydroxy-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
Names & synonyms
116139-52-72H-1-Benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxy-3-methylphenyl)-7-methoxy-DTXSID409219272-(4-Hydroxy-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-ol
Database identifiers
- CAS
116139-52-7- PubChem CID
- 189353
- DTXSID
DTXSID40921927
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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