2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid

C15H14O3S — CID 23332062

IUPAC2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid
SMILESO=C(O)C(O)CSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c16-14(15(17)18)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,17,18)
InChIKeyVFOVFYUIMWANJU-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.89
Rot. Bonds5

About 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid

2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid (PubChem CID 23332062) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid
PubChem CID23332062
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid
SMILESO=C(O)C(O)CSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O3S/c16-14(15(17)18)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,17,18)
InChIKeyVFOVFYUIMWANJU-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid (CID 23332062) is 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid is O=C(O)C(O)CSc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid?
The InChIKey is VFOVFYUIMWANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c16-14(15(17)18)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,17,18).
What are the key properties of 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid?
2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid has a molecular weight of 274.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-phenylphenyl)sulfanylpropanoic acid is sourced from PubChem (CID 23332062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).