Phosphonic acid, (2-hydroxy-5-methoxyphenyl)-, diethyl ester
Basic information
- CAS
80615-41-4- Standard SMILES
CCOP(=O)(OCC)c1cc(OC)ccc1O- InChIKey
JDTODOXKCBUXHO-UHFFFAOYSA-N- Molecular formula
- C11H17O5P
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.08136064
Names & identifiers
- Preferred name
- Phosphonic acid, (2-hydroxy-5-methoxyphenyl)-, diethyl ester
- IUPAC
- 2-diethoxyphosphoryl-4-methoxyphenol
Names & synonyms
80615-41-4Phosphonic acid, (2-hydroxy-5-methoxyphenyl)-, diethyl esterDTXSID80470520RefChem:370453DTXCID60421338diethyl (2-hydroxy-5-methoxyphenyl)phosphonateEN300-45217350
Database identifiers
- CAS
80615-41-4- PubChem CID
- 11680479
- DTXSID
DTXSID80470520- Nikkaji
- J2.523.702A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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