2-(4-sec-Butylphenoxy)ethanol
Basic information
- CAS
5349-63-3- Standard SMILES
CCC(C)c1ccc(OCCO)cc1- InChIKey
XMPKZDNQLSEWRU-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 2-(4-sec-Butylphenoxy)ethanol
- IUPAC
- 2-(4-butan-2-ylphenoxy)ethanol
- English name
- 2-(4-sec-butylphenoxy)ethanol
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27012
Names & synonyms
2-(4-sec-Butylphenoxy)ethanol5349-63-3Ethanol, 2-[4-(1-methylpropyl)phenoxy]-2-[4-(1-Methylpropyl)phenoxy]ethanolEthanol, 2-(4-(1-methylpropyl)phenoxy)-NSC1269EINECS 226-317-6Ethanol,2-[4-(1-methylpropyl)phenoxy]-AI3-028122-[4-(BUTAN-2-YL)PHENOXY]ETHAN-1-OL2-(p-s-butylphenoxy)ethanol2-(p-sec-Butylphenoxy)ethanol
Show more names
2-(4-butan-2-ylphenoxy)ethanol
SCHEMBL262462282-(4-Sec-butylphenoxy)ethanol #DTXSID601289308NSC 1269NSC-1269DS-000753NS00044030
Database identifiers
- CAS
5349-63-3- PubChem CID
- 95317
- DTXSID
DTXSID601289308- EC Number
- 226-317-6
- Nikkaji
- J104.000F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 139
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Compound notes
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