4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one

C17H24O2 — CID 116873902

IUPAC4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one
SMILESCC(=O)CCC1(c2c(C)c(C)cc(C)c2C)COC1
InChIInChI=1S/C17H24O2/c1-11-8-12(2)15(5)16(14(11)4)17(9-19-10-17)7-6-13(3)18/h8H,6-7,9-10H2,1-5H3
InChIKeyJXQFGDTZMDZQOL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.56
Rot. Bonds4

About 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one

4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one (PubChem CID 116873902) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one
PubChem CID116873902
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one
SMILESCC(=O)CCC1(c2c(C)c(C)cc(C)c2C)COC1
InChIInChI=1S/C17H24O2/c1-11-8-12(2)15(5)16(14(11)4)17(9-19-10-17)7-6-13(3)18/h8H,6-7,9-10H2,1-5H3
InChIKeyJXQFGDTZMDZQOL-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one?
The IUPAC name of 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one (CID 116873902) is 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one.
What is the SMILES notation for 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one?
The canonical SMILES for 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one is CC(=O)CCC1(c2c(C)c(C)cc(C)c2C)COC1.
What is the InChIKey of 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one?
The InChIKey is JXQFGDTZMDZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11-8-12(2)15(5)16(14(11)4)17(9-19-10-17)7-6-13(3)18/h8H,6-7,9-10H2,1-5H3.
What are the key properties of 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one?
4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]butan-2-one is sourced from PubChem (CID 116873902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).