1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone

C13H16O4 — CID 102606997

IUPAC1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone
SMILESCCOc1ccc(C(=O)COC2COC2)cc1
InChIInChI=1S/C13H16O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12H,2,7-9H2,1H3
InChIKeyMDUKKORMGPEGHR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.68
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone

1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone (PubChem CID 102606997) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone
PubChem CID102606997
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone
SMILESCCOc1ccc(C(=O)COC2COC2)cc1
InChIInChI=1S/C13H16O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12H,2,7-9H2,1H3
InChIKeyMDUKKORMGPEGHR-UHFFFAOYSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxetan-3-yloxy)-1-phenylethanone
CID 102606995
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
1-(4-ethoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 3102086
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
CID 116590820
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone (CID 102606997) is 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone is CCOc1ccc(C(=O)COC2COC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone?
The InChIKey is MDUKKORMGPEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone?
1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone has a molecular weight of 236.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanone is sourced from PubChem (CID 102606997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).