1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol

C12H17ClOS — CID 103407933

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
SMILESCc1csc(C(O)CC2CCCC2)c1Cl
InChIInChI=1S/C12H17ClOS/c1-8-7-15-12(11(8)13)10(14)6-9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3
InChIKeyXIOJQTVYYHVIOS-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol (PubChem CID 103407933) has the molecular formula C12H17ClOS and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
PubChem CID103407933
Molecular FormulaC12H17ClOS
Molecular Weight244.79 g/mol
Exact Mass244.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
SMILESCc1csc(C(O)CC2CCCC2)c1Cl
InChIInChI=1S/C12H17ClOS/c1-8-7-15-12(11(8)13)10(14)6-9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3
InChIKeyXIOJQTVYYHVIOS-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
CID 103408753
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol (CID 103407933) is 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol is Cc1csc(C(O)CC2CCCC2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol?
The InChIKey is XIOJQTVYYHVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClOS/c1-8-7-15-12(11(8)13)10(14)6-9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol has a molecular weight of 244.79 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol is sourced from PubChem (CID 103407933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).