1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid

C11H12O3S — CID 117322078

IUPAC1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
SMILESCSc1ccc(O)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H12O3S/c1-15-7-2-3-9(12)8(6-7)11(4-5-11)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyVTQXOSXNIAZCMC-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117322078) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117322078
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
SMILESCSc1ccc(O)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C11H12O3S/c1-15-7-2-3-9(12)8(6-7)11(4-5-11)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyVTQXOSXNIAZCMC-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117395420
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328253
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437970
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
CID 117348410
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117410597
1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid (CID 117322078) is 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid is CSc1ccc(O)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is VTQXOSXNIAZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-15-7-2-3-9(12)8(6-7)11(4-5-11)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117322078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).