1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol

C11H16O2S — CID 103448343

IUPAC1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCC2)s1
InChIInChI=1S/C11H16O2S/c1-8-4-5-9(14-8)10(12)11(13)6-2-3-7-11/h4-5,10,12-13H,2-3,6-7H2,1H3
InChIKeyJKSGUXGCOXQGJX-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.40
Rot. Bonds2

About 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol

1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol (PubChem CID 103448343) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol
PubChem CID103448343
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCC2)s1
InChIInChI=1S/C11H16O2S/c1-8-4-5-9(14-8)10(12)11(13)6-2-3-7-11/h4-5,10,12-13H,2-3,6-7H2,1H3
InChIKeyJKSGUXGCOXQGJX-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol (CID 103448343) is 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol is Cc1ccc(C(O)C2(O)CCCC2)s1.
What is the InChIKey of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is JKSGUXGCOXQGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8-4-5-9(14-8)10(12)11(13)6-2-3-7-11/h4-5,10,12-13H,2-3,6-7H2,1H3.
What are the key properties of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol?
1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 212.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103448343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).