Basic information
- Standard SMILES
CC(=O)OCc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CO)c1- InChIKey
AIRMASUASKAPGN-UHFFFAOYSA-N- Molecular formula
- C21H26O6S
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- (3'-(Hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate
- IUPAC
- [2-[3-(hydroxymethyl)phenyl]-3-methyl-5-(3-methylsulfonylpropoxy)phenyl]methyl acetate
Names & synonyms
(3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate{3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl}methyl acetateSCHEMBL204792AIRMASUASKAPGN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59342573
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Related reactions
9 records
Linked notes
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