3-[(2,5-dimethylphenoxy)methyl]oxetane

C12H16O2 — CID 116820130

IUPAC3-[(2,5-dimethylphenoxy)methyl]oxetane
SMILESCc1ccc(C)c(OCC2COC2)c1
InChIInChI=1S/C12H16O2/c1-9-3-4-10(2)12(5-9)14-8-11-6-13-7-11/h3-5,11H,6-8H2,1-2H3
InChIKeyCABKTJTUBVFOLL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.33
Rot. Bonds3

About 3-[(2,5-dimethylphenoxy)methyl]oxetane

3-[(2,5-dimethylphenoxy)methyl]oxetane (PubChem CID 116820130) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]oxetane
PubChem CID116820130
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]oxetane
SMILESCc1ccc(C)c(OCC2COC2)c1
InChIInChI=1S/C12H16O2/c1-9-3-4-10(2)12(5-9)14-8-11-6-13-7-11/h3-5,11H,6-8H2,1-2H3
InChIKeyCABKTJTUBVFOLL-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2,5-dimethylphenoxy)methyl]oxetane with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine
CID 82291329
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]oxetane?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]oxetane (CID 116820130) is 3-[(2,5-dimethylphenoxy)methyl]oxetane.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]oxetane?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]oxetane is Cc1ccc(C)c(OCC2COC2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]oxetane?
The InChIKey is CABKTJTUBVFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-3-4-10(2)12(5-9)14-8-11-6-13-7-11/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]oxetane?
3-[(2,5-dimethylphenoxy)methyl]oxetane has a molecular weight of 192.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]oxetane is sourced from PubChem (CID 116820130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).