2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid

C10H12O3S — CID 82237250

IUPAC2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1ccccc1O)C(=O)O
InChIInChI=1S/C10H12O3S/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6,11H,1-2H3,(H,12,13)
InChIKeyCQBXWTIXBDUQRV-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid

2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid (PubChem CID 82237250) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
PubChem CID82237250
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
SMILESCC(C)(Sc1ccccc1O)C(=O)O
InChIInChI=1S/C10H12O3S/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6,11H,1-2H3,(H,12,13)
InChIKeyCQBXWTIXBDUQRV-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid (CID 82237250) is 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid is CC(C)(Sc1ccccc1O)C(=O)O.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid?
The InChIKey is CQBXWTIXBDUQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid?
2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 82237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).