2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone

C12H14O2S — CID 80622526

IUPAC2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)C1CCCS1
InChIInChI=1S/C12H14O2S/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,12-13H,1-2,7-8H2
InChIKeyJFZHCFMNQJSNFY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone

2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone (PubChem CID 80622526) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
PubChem CID80622526
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc(O)cc1)C1CCCS1
InChIInChI=1S/C12H14O2S/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,12-13H,1-2,7-8H2
InChIKeyJFZHCFMNQJSNFY-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone (CID 80622526) is 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone is O=C(Cc1ccc(O)cc1)C1CCCS1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone?
The InChIKey is JFZHCFMNQJSNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,12-13H,1-2,7-8H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone?
2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone has a molecular weight of 222.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 80622526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).