Basic information
- CAS
166409-59-2- Standard SMILES
Oc1ccc(-c2cc(O)c(-c3ccc(O)cc3)cc2O)cc1- InChIKey
IBWRSSDRZFFWIY-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- 2,5-Bis(4-hydroxyphenyl)benzene-1,4-diol
- IUPAC
- 2,5-bis(4-hydroxyphenyl)benzene-1,4-diol
- English name
- [1,1':4',1''-terphenyl]-2',4,4'',5'-tetraol
- Molecular formula
- C18H14O4
- Molecular weight
- 294.3
Names & synonyms
2,5-bis(4-hydroxyphenyl)benzene-1,4-diolNSC159609SCHEMBL17625725DTXSID201264930p-Terphenyl-2',4,4',5'-tetrolNSC-159609166409-59-2[1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~4~,2~2~,2~5~,3~4~-tetrol[1,1a(2):4a(2),1a(2)a(2)-Terphenyl]-2a(2),4,4a(2)a(2),5a(2)-tetrolFelbinac Impurity 982.5?Bis?(4?oxy?phenyl)?hydrochinon1,1'4', 1"-Terphenyl-2',4,4",5'-tetrol
Show more names
1,1':4',1''-terphenyl]-2',4,4'',5'-tetraol[1,1':4',1''-terphenyl]-2',4,4'',5'-tetraol[1,1':4',1''-Terphenyl]-2',4,4'',5'-tetrol (9CI)
Database identifiers
- CAS
166409-59-2- PubChem CID
- 293263
- DTXSID
DTXSID201264930
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 570.5 · 570.5±50.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.15(Predicted)
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司13393710386 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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