3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol

C15H22O2 — CID 114601512

IUPAC3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cccc(C2CCC2)c1
InChIInChI=1S/C15H22O2/c1-15(2,10-16)11-17-14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12,16H,3,5-6,10-11H2,1-2H3
InChIKeyZNCMXKSDTIIYLU-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds5

About 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol

3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 114601512) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol
PubChem CID114601512
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cccc(C2CCC2)c1
InChIInChI=1S/C15H22O2/c1-15(2,10-16)11-17-14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12,16H,3,5-6,10-11H2,1-2H3
InChIKeyZNCMXKSDTIIYLU-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol (CID 114601512) is 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1cccc(C2CCC2)c1.
What is the InChIKey of 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is ZNCMXKSDTIIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,10-16)11-17-14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12,16H,3,5-6,10-11H2,1-2H3.
What are the key properties of 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol?
3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 114601512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).