Basic information
- CAS
70413-04-6- Standard SMILES
COc1ccc(CCCc2c(O)cc(O)cc2O)cc1O- InChIKey
VLLRBLRSPUPCPC-UHFFFAOYSA-N- Molecular formula
- C16H18O5
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.11542367
Names & identifiers
- Preferred name
- 1,3,5-Benzenetriol, 2-(3-(3-hydroxy-4-methoxyphenyl)propyl)-
- IUPAC
- 2-[3-(3-hydroxy-4-methoxyphenyl)propyl]benzene-1,3,5-triol
Names & synonyms
1,3,5-Benzenetriol, 2-(3-(3-hydroxy-4-methoxyphenyl)propyl)-70413-04-62-(3-(3-Hydroxy-4-methoxyphenyl)propyl)-1,3,5-benzenetriolCHEMBL134767DTXSID502206952-[3-(3-hydroxy-4-methoxyphenyl)propyl]benzene-1,3,5-triol
Database identifiers
- CAS
70413-04-6- PubChem CID
- 153148
- DTXSID
DTXSID50220695- ChEMBL
CHEMBL134767
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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