Basic information
- CAS
75675-48-8- Standard SMILES
CCCCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
JCDJGJCAOAFHSD-UHFFFAOYSA-N- Molecular formula
- C22H23O4P
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13339621
Names & identifiers
- Preferred name
- Butylphenyl diphenyl phosphate
- IUPAC
- (4-butylphenyl) diphenyl phosphate
- English name
- Butylphenyl diphenyl phosphate
- Molecular formula
- C22H23O4P
- Molecular weight
- 382.389381
Names & synonyms
Butylphenyl diphenyl phosphate75675-48-8Phosphoric acid, butylphenyl diphenyl esterSCHEMBL2721214-butylphenyl diphenyl phosphateDTXSID60997109
Database identifiers
- CAS
75675-48-8- PubChem CID
- 53301
- DTXSID
DTXSID60997109
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- EPA Substance Registry System
- Butylphenyl diphenyl phosphate (75675-48-8)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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