Basic information
- CAS
61709-37-3- Standard SMILES
CC(C)(C)c1ccc(O)c(C(=O)c2ccc(Cl)cc2Cl)c1- InChIKey
ZRPJXEAUDAUFOU-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2O2
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 322.0527351
Names & identifiers
- Preferred name
- Methanone, (2,4-dichlorophenyl)[5-(1,1-dimethylethyl)-2-hydroxyphenyl]-
- IUPAC
- (5-tert-butyl-2-hydroxyphenyl)-(2,4-dichlorophenyl)methanone
Names & synonyms
61709-37-3Methanone, (2,4-dichlorophenyl)[5-(1,1-dimethylethyl)-2-hydroxyphenyl]-5-tert-Butyl-2',4'-dichloro-2-hydroxybenzophenoneSCHEMBL10797619DTXSID40334811(5-tert-Butyl-2-hydroxyphenyl)(2,4-dichlorophenyl)methanone
Database identifiers
- CAS
61709-37-3- PubChem CID
- 521986
- DTXSID
DTXSID40334811
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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