1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one

C13H11NO2S — CID 15496310

IUPAC1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one
SMILESO=C1CC(c2cccs2)N1c1ccc(O)cc1
InChIInChI=1S/C13H11NO2S/c15-10-5-3-9(4-6-10)14-11(8-13(14)16)12-2-1-7-17-12/h1-7,11,15H,8H2
InChIKeyAHEWHJZRTAFNIZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one

1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one (PubChem CID 15496310) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one
PubChem CID15496310
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one
SMILESO=C1CC(c2cccs2)N1c1ccc(O)cc1
InChIInChI=1S/C13H11NO2S/c15-10-5-3-9(4-6-10)14-11(8-13(14)16)12-2-1-7-17-12/h1-7,11,15H,8H2
InChIKeyAHEWHJZRTAFNIZ-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one (CID 15496310) is 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one is O=C1CC(c2cccs2)N1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one?
The InChIKey is AHEWHJZRTAFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-10-5-3-9(4-6-10)14-11(8-13(14)16)12-2-1-7-17-12/h1-7,11,15H,8H2.
What are the key properties of 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one?
1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one has a molecular weight of 245.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 15496310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).