1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone

C12H15NO3 — CID 116587555

IUPAC1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
SMILESNC1COCC1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c13-11-7-16-6-10(11)12(15)5-8-1-3-9(14)4-2-8/h1-4,10-11,14H,5-7,13H2
InChIKeyYOTQCTBTDGRROD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone

1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 116587555) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
PubChem CID116587555
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
SMILESNC1COCC1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c13-11-7-16-6-10(11)12(15)5-8-1-3-9(14)4-2-8/h1-4,10-11,14H,5-7,13H2
InChIKeyYOTQCTBTDGRROD-UHFFFAOYSA-N
XLogP0.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone (CID 116587555) is 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone is NC1COCC1C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is YOTQCTBTDGRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-11-7-16-6-10(11)12(15)5-8-1-3-9(14)4-2-8/h1-4,10-11,14H,5-7,13H2.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone?
1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 116587555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).