2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane

C16H24O — CID 171770211

IUPAC2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane
SMILESCC(C)c1ccc(C(C)C)c(CC2CCO2)c1
InChIInChI=1S/C16H24O/c1-11(2)13-5-6-16(12(3)4)14(9-13)10-15-7-8-17-15/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyVTXGMYVJFWHTCF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.26
Rot. Bonds4

About 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane

2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane (PubChem CID 171770211) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane.

Molecular Properties

Compound Name2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane
PubChem CID171770211
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane
SMILESCC(C)c1ccc(C(C)C)c(CC2CCO2)c1
InChIInChI=1S/C16H24O/c1-11(2)13-5-6-16(12(3)4)14(9-13)10-15-7-8-17-15/h5-6,9,11-12,15H,7-8,10H2,1-4H3
InChIKeyVTXGMYVJFWHTCF-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane?
The IUPAC name of 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane (CID 171770211) is 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane.
What is the SMILES notation for 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane?
The canonical SMILES for 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane is CC(C)c1ccc(C(C)C)c(CC2CCO2)c1.
What is the InChIKey of 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane?
The InChIKey is VTXGMYVJFWHTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11(2)13-5-6-16(12(3)4)14(9-13)10-15-7-8-17-15/h5-6,9,11-12,15H,7-8,10H2,1-4H3.
What are the key properties of 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane?
2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane has a molecular weight of 232.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-di(propan-2-yl)phenyl]methyl]oxetane is sourced from PubChem (CID 171770211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).