3-ethyl-3-[(3-methylphenoxy)methyl]oxetane

C13H18O2 — CID 70976864

IUPAC3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
SMILESCCC1(COc2cccc(C)c2)COC1
InChIInChI=1S/C13H18O2/c1-3-13(8-14-9-13)10-15-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3
InChIKeySVAVYRBYKKWDLA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.80
Rot. Bonds4

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

3-ethyl-3-[(3-methylphenoxy)methyl]oxetane (PubChem CID 70976864) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
PubChem CID70976864
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
SMILESCCC1(COc2cccc(C)c2)COC1
InChIInChI=1S/C13H18O2/c1-3-13(8-14-9-13)10-15-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3
InChIKeySVAVYRBYKKWDLA-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenoxy)methyl]-3-ethyloxetane
CID 84712954
3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 146616027
3-ethyl-3-[[38,39,40,41,42-pentakis[(3-ethyloxetan-3-yl)methoxy]-5,11,17,23,29,35-hexamethyl-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]oxetane
CID 12061326
3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one
CID 150703586
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 111976653
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane
CID 158020153
2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
CID 25232654
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[4-[4-(N-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-propylphenyl)aniline
CID 143613681
3-ethyl-3-[[6-(8-prop-2-enoxyoctoxy)naphthalen-2-yl]oxymethyl]oxetane
CID 59711354
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane?
The IUPAC name of 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane (CID 70976864) is 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane is CCC1(COc2cccc(C)c2)COC1.
What is the InChIKey of 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane?
The InChIKey is SVAVYRBYKKWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-13(8-14-9-13)10-15-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane?
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane has a molecular weight of 206.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(3-methylphenoxy)methyl]oxetane is sourced from PubChem (CID 70976864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).