2-dibenzofuran-2-ylsulfanylpropanoic acid

C15H12O3S — CID 71395413

IUPAC2-dibenzofuran-2-ylsulfanylpropanoic acid
SMILESCC(Sc1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C15H12O3S/c1-9(15(16)17)19-10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,16,17)
InChIKeyHEFODHBLJIOAAW-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.15
Rot. Bonds3

About 2-dibenzofuran-2-ylsulfanylpropanoic acid

2-dibenzofuran-2-ylsulfanylpropanoic acid (PubChem CID 71395413) has the molecular formula C15H12O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-dibenzofuran-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-dibenzofuran-2-ylsulfanylpropanoic acid
PubChem CID71395413
Molecular FormulaC15H12O3S
Molecular Weight272.33 g/mol
Exact Mass272.05
IUPAC Name2-dibenzofuran-2-ylsulfanylpropanoic acid
SMILESCC(Sc1ccc2oc3ccccc3c2c1)C(=O)O
InChIInChI=1S/C15H12O3S/c1-9(15(16)17)19-10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,16,17)
InChIKeyHEFODHBLJIOAAW-UHFFFAOYSA-N
XLogP4.15
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-dibenzofuran-2-ylsulfanylpropanoic acid (CID 71395413) is 2-dibenzofuran-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-dibenzofuran-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-dibenzofuran-2-ylsulfanylpropanoic acid is CC(Sc1ccc2oc3ccccc3c2c1)C(=O)O.
What is the InChIKey of 2-dibenzofuran-2-ylsulfanylpropanoic acid?
The InChIKey is HEFODHBLJIOAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-9(15(16)17)19-10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,16,17).
What are the key properties of 2-dibenzofuran-2-ylsulfanylpropanoic acid?
2-dibenzofuran-2-ylsulfanylpropanoic acid has a molecular weight of 272.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 71395413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).