2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol

C11H15IOS — CID 115789854

IUPAC2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(CC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H15IOS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10,13H,1-5H2
InChIKeyQXIGHIXXBAXAQO-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.97
Rot. Bonds3

About 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol

2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol (PubChem CID 115789854) has the molecular formula C11H15IOS and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol
PubChem CID115789854
Molecular FormulaC11H15IOS
Molecular Weight322.21 g/mol
Exact Mass321.99
IUPAC Name2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(CC1CCCC1)c1csc(I)c1
InChIInChI=1S/C11H15IOS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10,13H,1-5H2
InChIKeyQXIGHIXXBAXAQO-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105330732
2-cyclopentyl-1-phenylethanol
CID 15629098
2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol
CID 115786196
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
2-cyclohexyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502817
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol (CID 115789854) is 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol is OC(CC1CCCC1)c1csc(I)c1.
What is the InChIKey of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol?
The InChIKey is QXIGHIXXBAXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IOS/c12-11-6-9(7-14-11)10(13)5-8-3-1-2-4-8/h6-8,10,13H,1-5H2.
What are the key properties of 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol?
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol has a molecular weight of 322.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanol is sourced from PubChem (CID 115789854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).