Basic information
- Standard SMILES
O=C(c1ccc(I)cc1)c1ccc(OC2CCCCO2)cc1- InChIKey
VXWDULBMHKHPNC-UHFFFAOYSA-N- Molecular formula
- C18H17IO3
- Average molar mass
- 408.2 g/mol
Names & identifiers
- Preferred name
- (4-iodophenyl)(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)methanone
- IUPAC
- (4-iodophenyl)-[4-(oxan-2-yloxy)phenyl]methanone
Names & synonyms
SCHEMBL15067474VXWDULBMHKHPNC-UHFFFAOYSA-N(4-iodophenyl)(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)methanone
Database identifiers
- PubChem CID
- 89656044
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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