1-Phenyl-2-adamantanol
Basic information
- CAS
40571-15-1- Standard SMILES
OC1C2CC3CC(C2)CC1(c1ccccc1)C3- InChIKey
QVJGNUPPVDMVGE-UHFFFAOYSA-N- Molecular formula
- C16H20O
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.15141526
Names & identifiers
- Preferred name
- 1-Phenyl-2-adamantanol
- IUPAC
- 1-phenyladamantan-2-ol
- English name
- 1-Phenyltricyclo[3.3.1.13,7]decan-2-ol
- Molecular formula
- C16H20O
- Molecular weight
- 228.33
Names & synonyms
1-Phenyl-2-adamantanolDTXSID9033945740571-15-1Tricyclo[3.3.1.1(3,7)]decan-2-ol, 1-phenyl-Tricyclo(3.3.1.1(3,7))decan-2-ol, 1-phenyl-RefChem:233110DTXCID30290538QVJGNUPPVDMVGE-UHFFFAOYSA-N1-phenyladamantan-2-ol1-Phenyl-2-adamantanol #SCHEMBL46079131-Phenyltricyclo[3.3.1.13,7]decan-2-ol
Show more names
Tricyclo[3.3.1.13,7]decan-2-ol, 1-phenyl-
Database identifiers
- CAS
40571-15-1- PubChem CID
- 556322
- DTXSID
DTXSID90339457
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 70 · 70-73 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 358.4 · 358.4±21.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 14.65 · 14.65±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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