(R)-(3'-(hydroxymethyl)-6-methyl-4-((tetrahydrofuran-3-yl)oxy)biphenyl-2-yl)methyl acetate
Basic information
- Standard SMILES
CC(=O)OCc1cc(O[C@@H]2CCOC2)cc(C)c1-c1cccc(CO)c1- InChIKey
NHRQOVKRVVYXES-LJQANCHMSA-N- Molecular formula
- C21H24O5
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- (R)-(3'-(hydroxymethyl)-6-methyl-4-((tetrahydrofuran-3-yl)oxy)biphenyl-2-yl)methyl acetate
- IUPAC
- [2-[3-(hydroxymethyl)phenyl]-3-methyl-5-[(3R)-oxolan-3-yl]oxyphenyl]methyl acetate
Names & synonyms
SCHEMBL15125744NHRQOVKRVVYXES-LJQANCHMSA-N(R)-(3'-(hydroxymethyl)-6-methyl-4-((tetrahydrofuran-3-yl)oxy)biphenyl-2-yl)methyl acetate
Database identifiers
- PubChem CID
- 89701752
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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