1-Cyclopentyl-1-phenylethan-1-ol
Basic information
- CAS
97703-99-6- Standard SMILES
CC(O)(c1ccccc1)C1CCCC1- InChIKey
VBSQXECZYIRHOS-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopentyl-1-phenylethan-1-ol
- IUPAC
- 1-cyclopentyl-1-phenylethanol
- English name
- 1-cyclopentyl-1-phenylethanol
- Molecular formula
- C13H18O
- Molecular weight
- 190.29
Names & synonyms
SCHEMBL177718821-Cyclopentyl-1-phenylethan-1-ol97703-99-61-cyclopentyl-1-phenylethanolα-Cyclopentyl-α-methylbenzenemethanolBenzenemethanol, α-cyclopentyl-α-methyl-
Database identifiers
- CAS
97703-99-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 116 · 116-118 °C(Press: 3 Torr)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.29(Predicted)
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Compound notes
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