2-(4-methylsulfanylphenoxy)propanoic acid

C10H12O3S — CID 21317118

IUPAC2-(4-methylsulfanylphenoxy)propanoic acid
SMILESCSc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3S/c1-7(10(11)12)13-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,11,12)
InChIKeyMEWMSMRFZJJBNA-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-methylsulfanylphenoxy)propanoic acid

2-(4-methylsulfanylphenoxy)propanoic acid (PubChem CID 21317118) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)propanoic acid
PubChem CID21317118
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(4-methylsulfanylphenoxy)propanoic acid
SMILESCSc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3S/c1-7(10(11)12)13-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,11,12)
InChIKeyMEWMSMRFZJJBNA-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)propanoic acid?
The IUPAC name of 2-(4-methylsulfanylphenoxy)propanoic acid (CID 21317118) is 2-(4-methylsulfanylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)propanoic acid is CSc1ccc(OC(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)propanoic acid?
The InChIKey is MEWMSMRFZJJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-7(10(11)12)13-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,11,12).
What are the key properties of 2-(4-methylsulfanylphenoxy)propanoic acid?
2-(4-methylsulfanylphenoxy)propanoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)propanoic acid is sourced from PubChem (CID 21317118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).