3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol

C13H20OS — CID 102842471

IUPAC3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1sccc1C(O)CCC1CCCC1
InChIInChI=1S/C13H20OS/c1-10-12(8-9-15-10)13(14)7-6-11-4-2-3-5-11/h8-9,11,13-14H,2-7H2,1H3
InChIKeyCAKQOOWLXZNOCH-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.06
Rot. Bonds4

About 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol

3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol (PubChem CID 102842471) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
PubChem CID102842471
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1sccc1C(O)CCC1CCCC1
InChIInChI=1S/C13H20OS/c1-10-12(8-9-15-10)13(14)7-6-11-4-2-3-5-11/h8-9,11,13-14H,2-7H2,1H3
InChIKeyCAKQOOWLXZNOCH-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 22843366
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol (CID 102842471) is 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol is Cc1sccc1C(O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The InChIKey is CAKQOOWLXZNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-10-12(8-9-15-10)13(14)7-6-11-4-2-3-5-11/h8-9,11,13-14H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol?
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 102842471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).