3-Hydroxy-3,5,5-trimethyl-2-phenyl-1,2lambda~5~-oxaphospholan-2-one
Basic information
- CAS
39770-52-0- Standard SMILES
CC1(C)CC(C)(O)P(=O)(c2ccccc2)O1- InChIKey
IVLUAGYBDRGAPC-UHFFFAOYSA-N- Molecular formula
- C12H17O3P
- Average molar mass
- 240.23 g/mol
- Monoisotopic mass
- 240.0915314
Names & identifiers
- Preferred name
- 3-Hydroxy-3,5,5-trimethyl-2-phenyl-1,2lambda~5~-oxaphospholan-2-one
- IUPAC
- 3,5,5-trimethyl-2-oxo-2-phenyl-1,2λ5-oxaphospholan-3-ol
Names & synonyms
39770-52-0DTXSID609603533-Hydroxy-3,5,5-trimethyl-2-phenyl-1,2lambda~5~-oxaphospholan-2-oneRefChem:1067944DTXCID001388213cis-2-Phenyl-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide3,5,5-trimethyl-2-phenyl-1,2-oxaphospholan-3-ol 2-oxide3,5,5-trimethyl-2-oxo-2-phenyl-1,2lambda5-oxaphospholan-3-oltrans-2-Phenyl-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxideChemDiv3_0005241,2-OXAPHOSPHOLAN-3-OL, 2-PHENYL-3,5,5-TRIMETHYL-, 2-OXIDE, cis-1,2-OXAPHOSPHOLAN-3-OL, 2-PHENYL-3,5,5-TRIMETHYL-, 2-OXIDE, trans-
Show more names
Oprea1_547314MLS000105297CHEMBL1387475HMS1474H18HMS2425C19MFCD00585945AKOS001606781AKOS021984672
Database identifiers
- CAS
39770-52-0、39770-56-4- PubChem CID
- 38336
- DTXSID
DTXSID60960353- ChEMBL
CHEMBL1387475
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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