2,4-Dicyclopentylphenol
Basic information
- CAS
52938-91-7- Standard SMILES
Oc1ccc(C2CCCC2)cc1C1CCCC1- InChIKey
IGXUCIAXEPFJAX-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 2,4-Dicyclopentylphenol
- IUPAC
- 2,4-dicyclopentylphenol
- English name
- 2,4-dicyclopentylphenol
- Molecular formula
- C16H22O
- Molecular weight
- 230.35
Names & synonyms
2,4-Dicyclopentylphenol52938-91-7EINECS 258-266-0DTXSID90200976RefChem:82401DTXCID20123467258-266-02,4-dicyclo-pentylphenolSCHEMBL6940007IGXUCIAXEPFJAX-UHFFFAOYSA-NDB-313104NS00032622
Show more names
Phenol, 2,4-dicyclopentyl-
Database identifiers
- CAS
52938-91-7- PubChem CID
- 104362
- DTXSID
DTXSID90200976- EC Number
- 258-266-0
- Nikkaji
- J295.840F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 318.1 · 318.1±21.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.43(Predicted)
Chemistry & industry
Upstream & downstream products
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Compound notes
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