1-(2-Butan-2-ylphenoxy)propan-2-ol

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Basic information

CAS: 5331-25-9
Standard SMILES: CCC(C)c1ccccc1OCC(C)O
InChIKey: OGBFCLDMRJRDJH-UHFFFAOYSA-N
Molecular formula: C13H20O2
Average molar mass: 208.3 g/mol
Monoisotopic mass: 208.14632988

Names & identifiers

Preferred name: 1-(2-Butan-2-ylphenoxy)propan-2-ol
IUPAC: 1-(2-butan-2-ylphenoxy)propan-2-ol

Names & synonyms

5331-25-91-(2-butan-2-ylphenoxy)propan-2-ol1-[2-(butan-2-yl)phenoxy]propan-2-olNSC2265DTXSID80277410NSC-2265AKOS0110436641-(2-HYDROXYPROPOXY)-2-(1-METHYLPROPYL)BENZENE

Database identifiers

CAS: 5331-25-9
PubChem CID: 220044
DTXSID: DTXSID80277410

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 170

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Compound notes

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