3-[(2-methylphenoxy)methyl]oxetane

C11H14O2 — CID 116820110

IUPAC3-[(2-methylphenoxy)methyl]oxetane
SMILESCc1ccccc1OCC1COC1
InChIInChI=1S/C11H14O2/c1-9-4-2-3-5-11(9)13-8-10-6-12-7-10/h2-5,10H,6-8H2,1H3
InChIKeyFKGXUIYSXNXBLS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.02
Rot. Bonds3

About 3-[(2-methylphenoxy)methyl]oxetane

3-[(2-methylphenoxy)methyl]oxetane (PubChem CID 116820110) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]oxetane
PubChem CID116820110
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-[(2-methylphenoxy)methyl]oxetane
SMILESCc1ccccc1OCC1COC1
InChIInChI=1S/C11H14O2/c1-9-4-2-3-5-11(9)13-8-10-6-12-7-10/h2-5,10H,6-8H2,1H3
InChIKeyFKGXUIYSXNXBLS-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
3-[(2-methylphenoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 23111982
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815
2-(oxetan-3-ylmethoxy)benzenesulfonic acid
CID 175176804
ethane;2-[(2-methylphenoxy)methyl]thiirane
CID 144517451
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
CID 89175993

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]oxetane?
The IUPAC name of 3-[(2-methylphenoxy)methyl]oxetane (CID 116820110) is 3-[(2-methylphenoxy)methyl]oxetane.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]oxetane?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]oxetane is Cc1ccccc1OCC1COC1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]oxetane?
The InChIKey is FKGXUIYSXNXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-4-2-3-5-11(9)13-8-10-6-12-7-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]oxetane?
3-[(2-methylphenoxy)methyl]oxetane has a molecular weight of 178.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]oxetane is sourced from PubChem (CID 116820110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).