2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane

C15H22O2 — CID 71104332

IUPAC2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane
SMILESCCC(C)Oc1ccc(C2OCC2(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-11(2)17-13-8-6-12(7-9-13)14-15(3,4)10-16-14/h6-9,11,14H,5,10H2,1-4H3
InChIKeyTVLBMBPADQLWLA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane

2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane (PubChem CID 71104332) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane
PubChem CID71104332
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane
SMILESCCC(C)Oc1ccc(C2OCC2(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-11(2)17-13-8-6-12(7-9-13)14-15(3,4)10-16-14/h6-9,11,14H,5,10H2,1-4H3
InChIKeyTVLBMBPADQLWLA-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane?
The IUPAC name of 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane (CID 71104332) is 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane.
What is the SMILES notation for 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane?
The canonical SMILES for 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane is CCC(C)Oc1ccc(C2OCC2(C)C)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane?
The InChIKey is TVLBMBPADQLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-11(2)17-13-8-6-12(7-9-13)14-15(3,4)10-16-14/h6-9,11,14H,5,10H2,1-4H3.
What are the key properties of 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane?
2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane has a molecular weight of 234.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyphenyl)-3,3-dimethyloxetane is sourced from PubChem (CID 71104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).