3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol

C15H22O2 — CID 116872991

IUPAC3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C1(O)COC1
InChIInChI=1S/C15H22O2/c1-10-6-12(14(3,4)5)7-11(2)13(10)15(16)8-17-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyQZSOLOKLDZPSQS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol

3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol (PubChem CID 116872991) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol
PubChem CID116872991
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1C1(O)COC1
InChIInChI=1S/C15H22O2/c1-10-6-12(14(3,4)5)7-11(2)13(10)15(16)8-17-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyQZSOLOKLDZPSQS-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol?
The IUPAC name of 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol (CID 116872991) is 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol is Cc1cc(C(C)(C)C)cc(C)c1C1(O)COC1.
What is the InChIKey of 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol?
The InChIKey is QZSOLOKLDZPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-12(14(3,4)5)7-11(2)13(10)15(16)8-17-9-15/h6-7,16H,8-9H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol?
3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-ol is sourced from PubChem (CID 116872991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).