3-thiophen-2-ylpentan-1-ol

C9H14OS — CID 82074790

IUPAC3-thiophen-2-ylpentan-1-ol
SMILESCCC(CCO)c1cccs1
InChIInChI=1S/C9H14OS/c1-2-8(5-6-10)9-4-3-7-11-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyMVIICRTTYCQKHQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.62
Rot. Bonds4

About 3-thiophen-2-ylpentan-1-ol

3-thiophen-2-ylpentan-1-ol (PubChem CID 82074790) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-thiophen-2-ylpentan-1-ol.

Molecular Properties

Compound Name3-thiophen-2-ylpentan-1-ol
PubChem CID82074790
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-thiophen-2-ylpentan-1-ol
SMILESCCC(CCO)c1cccs1
InChIInChI=1S/C9H14OS/c1-2-8(5-6-10)9-4-3-7-11-9/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyMVIICRTTYCQKHQ-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpentan-1-ol?
The IUPAC name of 3-thiophen-2-ylpentan-1-ol (CID 82074790) is 3-thiophen-2-ylpentan-1-ol.
What is the SMILES notation for 3-thiophen-2-ylpentan-1-ol?
The canonical SMILES for 3-thiophen-2-ylpentan-1-ol is CCC(CCO)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylpentan-1-ol?
The InChIKey is MVIICRTTYCQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-2-8(5-6-10)9-4-3-7-11-9/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of 3-thiophen-2-ylpentan-1-ol?
3-thiophen-2-ylpentan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpentan-1-ol is sourced from PubChem (CID 82074790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).