1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol

C13H20OS — CID 115798476

IUPAC1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
SMILESCC1(C(O)CCc2ccsc2)CCCC1
InChIInChI=1S/C13H20OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyYATOPFXOUWHJGT-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.62
Rot. Bonds4

About 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol

1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 115798476) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID115798476
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
SMILESCC1(C(O)CCc2ccsc2)CCCC1
InChIInChI=1S/C13H20OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyYATOPFXOUWHJGT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 79057210
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 116754334
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 103452194
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
CID 79080663
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
[1-(1-methylcyclohexyl)-2-thiophen-3-ylethyl]hydrazine
CID 106831167
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol (CID 115798476) is 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol is CC1(C(O)CCc2ccsc2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is YATOPFXOUWHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10,12,14H,2-5,7-8H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol?
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 115798476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).