Basic information
- Standard SMILES
COC1(c2ccc(I)cc2)CCOCC1- InChIKey
UAARKXCSSIYVDM-UHFFFAOYSA-N- Molecular formula
- C12H15IO2
- Average molar mass
- 318.15 g/mol
- Monoisotopic mass
- 318.01168
Names & identifiers
- Preferred name
- tetrahydro-4-(4-iodophenyl)-4-methoxy-2H-pyran
- IUPAC
- 4-(4-iodophenyl)-4-methoxyoxane
Names & synonyms
tetrahydro-4-(4-iodophenyl)-4-methoxy-2H-pyran894399-72-54-(4-iodophenyl)-4-methoxyoxaneSCHEMBL1121005UAARKXCSSIYVDM-UHFFFAOYSA-NA1-08816
Database identifiers
- PubChem CID
- 57762532
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
12 records
Compound notes
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