1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid

C14H18O3S — CID 117420301

IUPAC1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESCSc1cc(C)c(O)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O3S/c1-9-7-12(18-2)10(8-11(9)15)14(13(16)17)5-3-4-6-14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyLIZFCZDFEQFWST-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.32
Rot. Bonds3

About 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid

1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117420301) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117420301
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESCSc1cc(C)c(O)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O3S/c1-9-7-12(18-2)10(8-11(9)15)14(13(16)17)5-3-4-6-14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyLIZFCZDFEQFWST-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
1-(5-hydroxy-4-methyl-2-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497679
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexane-1-carboxylic acid
CID 117480935
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(2-fluoro-3,4-dihydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117424291

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid (CID 117420301) is 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid is CSc1cc(C)c(O)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is LIZFCZDFEQFWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-9-7-12(18-2)10(8-11(9)15)14(13(16)17)5-3-4-6-14/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 266.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117420301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).