2-[2-(thiolan-3-yloxy)phenyl]propanoic acid

C13H16O3S — CID 115005219

IUPAC2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1OC1CCSC1
InChIInChI=1S/C13H16O3S/c1-9(13(14)15)11-4-2-3-5-12(11)16-10-6-7-17-8-10/h2-5,9-10H,6-8H2,1H3,(H,14,15)
InChIKeyOWWNZIRWMASHDO-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid

2-[2-(thiolan-3-yloxy)phenyl]propanoic acid (PubChem CID 115005219) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
PubChem CID115005219
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1OC1CCSC1
InChIInChI=1S/C13H16O3S/c1-9(13(14)15)11-4-2-3-5-12(11)16-10-6-7-17-8-10/h2-5,9-10H,6-8H2,1H3,(H,14,15)
InChIKeyOWWNZIRWMASHDO-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
3-amino-3-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117421857
3-[2-(thian-4-yloxy)phenyl]butanal
CID 117415908
3-amino-3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117478973
2-[3-methoxy-2-(thiolan-3-yloxy)phenyl]acetic acid
CID 117424669
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
CID 59577311
2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
CID 117447792
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117477685
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid?
The IUPAC name of 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid (CID 115005219) is 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1OC1CCSC1.
What is the InChIKey of 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid?
The InChIKey is OWWNZIRWMASHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c1-9(13(14)15)11-4-2-3-5-12(11)16-10-6-7-17-8-10/h2-5,9-10H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid?
2-[2-(thiolan-3-yloxy)phenyl]propanoic acid has a molecular weight of 252.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yloxy)phenyl]propanoic acid is sourced from PubChem (CID 115005219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).