Basic information
- CAS
82105-36-0- Standard SMILES
CC(C(=O)c1ccccc1)C(O)c1ccc(Cl)cc1- InChIKey
YKJJINLOTHGNPP-UHFFFAOYSA-N- Molecular formula
- C16H15ClO2
- Average molar mass
- 274.74 g/mol
- Monoisotopic mass
- 274.0760574
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
- IUPAC
- 3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
- English name
- 3-(4-Chloro-phenyl)-3-hydroxy-2-methyl-1-phenyl-propan-1-one
- Molecular formula
- C16H15ClO2
- Molecular weight
- 274.7421
Names & synonyms
82105-36-03-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-oneDTXSID70509156AKOS015965945AC-209743-(4-Chloro-phenyl)-3-hydroxy-2-methyl-1-phenyl-propan-1-one
Database identifiers
- CAS
82105-36-0- PubChem CID
- 12759348
- DTXSID
DTXSID70509156- Nikkaji
- J271.347K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Chemistry & industry
Suppliers4 total
APAC Pharmaceutical, LLC[email protected]
Leancare Ltd.[email protected]
AlliChem, LLC[email protected]
CHEMPACIFIC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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