1-(3-methylsulfanylphenyl)cyclopentan-1-ol

C12H16OS — CID 170997592

IUPAC1-(3-methylsulfanylphenyl)cyclopentan-1-ol
SMILESCSc1cccc(C2(O)CCCC2)c1
InChIInChI=1S/C12H16OS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyLTRGJUGPHXTAKL-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-methylsulfanylphenyl)cyclopentan-1-ol

1-(3-methylsulfanylphenyl)cyclopentan-1-ol (PubChem CID 170997592) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)cyclopentan-1-ol
PubChem CID170997592
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(3-methylsulfanylphenyl)cyclopentan-1-ol
SMILESCSc1cccc(C2(O)CCCC2)c1
InChIInChI=1S/C12H16OS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyLTRGJUGPHXTAKL-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)cyclopentan-1-ol?
The IUPAC name of 1-(3-methylsulfanylphenyl)cyclopentan-1-ol (CID 170997592) is 1-(3-methylsulfanylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-methylsulfanylphenyl)cyclopentan-1-ol is CSc1cccc(C2(O)CCCC2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)cyclopentan-1-ol?
The InChIKey is LTRGJUGPHXTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9,13H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-methylsulfanylphenyl)cyclopentan-1-ol?
1-(3-methylsulfanylphenyl)cyclopentan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 170997592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).