1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone

C13H16O3 — CID 24697722

IUPAC1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H16O3/c1-10(14)11-4-2-5-12(8-11)16-9-13-6-3-7-15-13/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyJMAREWQLAQECBG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.45
Rot. Bonds4

About 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone

1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone (PubChem CID 24697722) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
PubChem CID24697722
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H16O3/c1-10(14)11-4-2-5-12(8-11)16-9-13-6-3-7-15-13/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyJMAREWQLAQECBG-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
5-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]-1,3-diazinane-2,4,6-trione
CID 98449523
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone (CID 24697722) is 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone is CC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone?
The InChIKey is JMAREWQLAQECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)11-4-2-5-12(8-11)16-9-13-6-3-7-15-13/h2,4-5,8,13H,3,6-7,9H2,1H3.
What are the key properties of 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone?
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 24697722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).