3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol

C12H16Cl2OS — CID 63426516

IUPAC3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol
SMILESOC(CCC1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2OS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10,15H,1-6H2
InChIKeyWJGPIUMTZAWZBC-UHFFFAOYSA-N
MW279.23 g/mol
LogP5.06
Rot. Bonds4

About 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol

3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol (PubChem CID 63426516) has the molecular formula C12H16Cl2OS and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol
PubChem CID63426516
Molecular FormulaC12H16Cl2OS
Molecular Weight279.23 g/mol
Exact Mass278.03
IUPAC Name3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol
SMILESOC(CCC1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2OS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10,15H,1-6H2
InChIKeyWJGPIUMTZAWZBC-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.23
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol (CID 63426516) is 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol is OC(CCC1CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol?
The InChIKey is WJGPIUMTZAWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2OS/c13-11-7-9(12(14)16-11)10(15)6-5-8-3-1-2-4-8/h7-8,10,15H,1-6H2.
What are the key properties of 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol?
3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol has a molecular weight of 279.23 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 63426516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).