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Basic information
- CAS
17684-73-0- Standard SMILES
OC1(c2ccccc2)C2CC1C2- InChIKey
AITFJORBIAUXDI-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 2-Phenylbicyclo[1.1.1]pentan-2-ol
- IUPAC
- 2-phenylbicyclo[1.1.1]pentan-2-ol
- English name
- 5-phenylbicyclo[1.1.1]pentan-5-ol
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
2-phenylbicyclo[1.1.1]pentan-2-ol17684-73-05-PHENYLBICYCLO[1.1.1]PENTAN-5-OL2-Phenylbicyclo(1,1,1)pentane-2-ol(2R)-2-phenylbicyclo[1.1.1]pentan-2-ol2-Phenylbicyclo[1,1,1]pentane-2-olNSC255286SCHEMBL13735118DTXSID00170196AITFJORBIAUXDI-UHFFFAOYSA-NMFCD00778670STL563254
Show more names
Bicyclo[1.1.1]pentan-2-ol, 2-phenyl-
AKOS030505807AKOS037623007NSC 255286NSC-255286SY469689H50086
Database identifiers
- CAS
17684-73-0- PubChem CID
- 140271
- DTXSID
DTXSID00170196
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 280.5 · 280.5±9.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.20(Predicted)
Chemistry & industry
Suppliers3 total
韶远科技(上海)有限公司4000665055 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
2 records
Compound notes
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