(2,4-Dimethylphenoxy)-(4-methylphenoxy)-phenoxy-(3-propan-2-ylphenoxy)phosphanium
Basic information
- CAS
68988-44-3- Standard SMILES
Cc1ccc(O[P+](Oc2ccccc2)(Oc2cccc(C(C)C)c2)Oc2ccc(C)cc2C)cc1- InChIKey
CHBAFFCZLKUYFS-UHFFFAOYSA-N- Molecular formula
- C30H32O4P+
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.2038215
Names & identifiers
- Preferred name
- (2,4-Dimethylphenoxy)-(4-methylphenoxy)-phenoxy-(3-propan-2-ylphenoxy)phosphanium
- IUPAC
- (2,4-dimethylphenoxy)-(4-methylphenoxy)-phenoxy-(3-propan-2-ylphenoxy)phosphanium
Database identifiers
- CAS
68988-44-3- PubChem CID
- 6367247
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 615
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Compound notes
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