Basic information
- CAS
63992-31-4- Standard SMILES
CCCc1cc(O)ccc1-c1ccc(O)cc1CCC- InChIKey
UOZBIIYQAXBZNK-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 4,4'-Biphenyldiol, 2,2'-dipropyl-
- IUPAC
- 4-(4-hydroxy-2-propylphenyl)-3-propylphenol
- English name
- 4,4'-Biphenyldiol, 2,2'-dipropyl-
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
4,4'-BIPHENYLDIOL, 2,2'-DIPROPYL-Caswell No. 306B63992-31-42,2'-Dipropyl-p,p'-biphenolBRN 1978344EPA Pesticide Chemical Code 3063003,3'-Dichloro-5,5'-dinitro-o,o-biphenolDTXSID00213956RefChem:284526DTXCID30136447SCHEMBL5931864DB-324800
Show more names
2,2'-Dipropyl-1,1'-biphenyl-4,4'-diol[1,1'-Biphenyl]-4,4'-diol, 2,2'-dipropyl-4-(4-Hydroxy-2-propylphenyl)-3-propylphenol
2,2'-Dipropyl[1,1'-biphenyl]-4,4'-diol
Database identifiers
- CAS
63992-31-4- PubChem CID
- 46309
- DTXSID
DTXSID00213956- Nikkaji
- J79.025G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 447.3 · 447.3±45.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.35(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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