Basic information
- Standard SMILES
CCCOc1c(OCc2ccccc2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O- InChIKey
GOIDTIHJBKMOBN-UHFFFAOYSA-N- Molecular formula
- C32H38O9S
- Average molar mass
- 598.7 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2-Oxopropylsufonyl)-4-n-propoxy-5-benzyloxy-phenyl]-5-(3,4,5-trimethoxyphenyl) tetrahydrofuran
- IUPAC
- 1-[3-phenylmethoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylpropan-2-one
Names & synonyms
SCHEMBL9100240GOIDTIHJBKMOBN-UHFFFAOYSA-N2-[3-(2-oxopropylsufonyl)-4-n-propoxy-5-benzyloxy- phenyl]-5-(3,4,5-trimethoxyphenyl) tetrahydrofuran
Database identifiers
- PubChem CID
- 20067477
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 917
Related reactions
3 records
Compound notes
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