2-(4-Butan-2-ylphenyl)ethanol
Basic information
- CAS
6279-90-9- Standard SMILES
CCC(C)c1ccc(CCO)cc1- InChIKey
CIEGAWJENFWOMZ-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 2-(4-Butan-2-ylphenyl)ethanol
- IUPAC
- 2-(4-butan-2-ylphenyl)ethanol
- English name
- 2-(4-butan-2-ylphenyl)ethanol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
6279-90-9NSC 110172-(4-butan-2-ylphenyl)ethanol2-[4-(Butan-2-yl)phenyl]ethan-1-olNSC11017SCHEMBL10017779DTXSID30988367DTXSID70279009NSC-11017Benzeneethanol, 4-(1-methylpropyl)-
Database identifiers
- CAS
6279-90-9、68683-04-5- PubChem CID
- 223391
- DTXSID
DTXSID30988367
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
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Compound notes
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