(5-Tert-butyl-2-hydroxyphenyl)(phenyl)methanone
Basic information
- CAS
10425-05-5- Standard SMILES
CC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1- InChIKey
IAAWULFRQOKLJI-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- (5-Tert-butyl-2-hydroxyphenyl)(phenyl)methanone
- IUPAC
- (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
- English name
- [5-(tert-Butyl)-2-hydroxyphenyl](phenyl)methanone
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
10425-05-5(5-Tert-butyl-2-hydroxyphenyl)(phenyl)methanoneDTXSID10333730RefChem:209534DTXCID20284820(5-(tert-Butyl)-2-hydroxyphenyl)(phenyl)methanone2-benzoyl-4-tert-butylphenol[5-(tert-butyl)-2-hydroxyphenyl](phenyl)methanone(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone3-tert-Butyl-6-hydroxybenzophenoneMFCD001021265-(tert-butyl)-2-hydroxyphenyl phenyl ketone
Show more names
5-(tert-Butyl)-2-hydroxyphenylmethanoneMethanone, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]phenyl-
SCHEMBL11289125SBB055507AKOS009157748ST029242SY489855TS-008135-TERT-BUTYL-2-HYDROXYBENZOPHENONEDB-008338
Database identifiers
- CAS
10425-05-5- PubChem CID
- 517837
- DTXSID
DTXSID10333730- Nikkaji
- J2.024.160H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 67 · 67–68°C
Chemistry & industry
Preparation methods
PreparationPreparation by Fries rearrangement of p-tertbutylphenyl benzoate with, titanium tetrachloride without solvent at 140° for 15 min (47%) or in nitromethane at r.t. for 7 days (29%) ; aluminium chloride without solvent at 180° for 15 min (35%).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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