Basic information
- CAS
21225-62-7- Standard SMILES
CC(=O)C1C(=O)CC(C)(O)C(C(C)=O)C1c1ccccc1- InChIKey
OZRZBGMRHUJCAZ-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- 2,4-Diacetyl-5-hydroxy-5-methyl-3-phenyl-cyclohexanone
- IUPAC
- 2,4-diacetyl-5-hydroxy-5-methyl-3-phenylcyclohexan-1-one
- English name
- 2,4-diacetyl-5-hydroxy-5-methyl-3-phenyl-cyclohexan-1-one
- Molecular formula
- C17H20O4
- Molecular weight
- 288.3383
Names & synonyms
21225-62-72,4-Diacetyl-5-hydroxy-5-methyl-3-phenyl-cyclohexanoneDTXSID10302209RefChem:246078DTXCID102533432,4-diacetyl-5-hydroxy-5-methyl-3-phenyl-cyclohexan-1-one2,4-Diacetyl-5-hydroxy-5-methyl-3-phenylcyclohexanone2,4-diacetyl-5-hydroxy-5-methyl-3-phenylcyclohexan-1-oneNSC149668MLS000710966CHEMBL1900711SCHEMBL25304224
Show more names
OZRZBGMRHUJCAZ-UHFFFAOYSA-NHMS2626H22STK398243AKOS000314132NSC-149668SMR000280733ST001470SR-01000314486
Database identifiers
- CAS
21225-62-7- PubChem CID
- 288463
- DTXSID
DTXSID10302209- ChEMBL
CHEMBL1900711- Nikkaji
- J2.700.777E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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