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2,4-Dihydroxy-5-tert-butylbenzophenone - 97%, high purity , CAS No.4211-67-0
Basic Description
Synonyms
4211-67-0 | 2,4-Dihydroxy-5-tert-butylbenzophenone | 5-tert-Butyl-2,4-dihydroxybenzophenone | (5-tert-butyl-2,4-dihydroxyphenyl)-phenylmethanone | (5-(tert-Butyl)-2,4-dihydroxyphenyl)(phenyl)methanone | 5-T-Butyl-2,4-dihydroxybenzophenone | (5-tert-Butyl-2,4-dihydrox
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Phenylpropanes Resorcinols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenylpropane - Benzoyl - Resorcinol - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(5-tert-butyl-2,4-dihydroxyphenyl)-phenylmethanone
INCHI
InChI=1S/C17H18O3/c1-17(2,3)13-9-12(14(18)10-15(13)19)16(20)11-7-5-4-6-8-11/h4-10,18-19H,1-3H3
InChIKey
HSYUVRRTSSSDJI-UHFFFAOYSA-N
Smiles
CC(C)(C)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O
Isomeric SMILES
CC(C)(C)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O
WGK Germany
3
Molecular Weight
270.32
Reaxy-Rn
2130204
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2130204&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.320 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
270.126 Da
Monoisotopic Mass
270.126 Da
Topological Polar Surface Area
57.500 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
339.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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