Basic information
- Standard SMILES
CCOP(=O)(CCCCc1ccccc1)OCC- InChIKey
YBXQFABXBCYPDV-UHFFFAOYSA-N- Molecular formula
- C14H23O3P
- Average molar mass
- 270.3 g/mol
Names & identifiers
- Preferred name
- Diethyl 4-phenylbutylphosphonate
- IUPAC
- 4-diethoxyphosphorylbutylbenzene
Names & synonyms
diethyl 4-phenylbutylphosphonateSCHEMBL7331812SCHEMBL8486623SCHEMBL8486626diethyl(4-phenylbutyl)phosphonateYBXQFABXBCYPDV-UHFFFAOYSA-Ndiethyl (4-phenylbutyl)phosphonate(4-phenylbutyl)phosphonic acid, diethyl ester
Database identifiers
- PubChem CID
- 13102400
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
15 records
Compound notes
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