Basic information
- CAS
738-44-3- Standard SMILES
Cc1cc(Oc2c(I)cc(CCO)cc2I)cc(C)c1O- InChIKey
HCMDSBFDUIXNIL-UHFFFAOYSA-N- Molecular formula
- C16H16I2O3
- Average molar mass
- 510.1 g/mol
- Monoisotopic mass
- 509.91889
Names & identifiers
- Preferred name
- 4-(4-Hydroxy-3,5-xylyloxy)-3,5-diiodophenethyl alcohol
- IUPAC
- 4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol
Names & synonyms
28YN7I4INT4-(4-HYDROXY-3,5-XYLYLOXY)-3,5-DIIODOPHENETHYL ALCOHOL738-44-3Benzeneethanol, 4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-diiodo-Phenethyl alcohol, 4-((4-hydroxy-3,5-xylyl)oxy)-3,5-diiodo-UNII-28YN7I4INTDTXSID402745214-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol
Database identifiers
- CAS
738-44-3- PubChem CID
- 12918
- DTXSID
DTXSID40274521- UNII
- 28YN7I4INT
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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