1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone

C13H16O3 — CID 84685677

IUPAC1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC1(C)COC1
InChIInChI=1S/C13H16O3/c1-10(14)11-5-3-4-6-12(11)16-9-13(2)7-15-8-13/h3-6H,7-9H2,1-2H3
InChIKeyXGAVGXTZTZRUMX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone

1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone (PubChem CID 84685677) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone
PubChem CID84685677
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC1(C)COC1
InChIInChI=1S/C13H16O3/c1-10(14)11-5-3-4-6-12(11)16-9-13(2)7-15-8-13/h3-6H,7-9H2,1-2H3
InChIKeyXGAVGXTZTZRUMX-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone (CID 84685677) is 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC1(C)COC1.
What is the InChIKey of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone?
The InChIKey is XGAVGXTZTZRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)11-5-3-4-6-12(11)16-9-13(2)7-15-8-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone?
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 84685677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).