1-thiophen-3-ylpentan-1-ol

C9H14OS — CID 11819457

IUPAC1-thiophen-3-ylpentan-1-ol
SMILESCCCCC(O)c1ccsc1
InChIInChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h5-7,9-10H,2-4H2,1H3
InChIKeyRGCIBLOIRFHCKA-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.97
Rot. Bonds4

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

1-thiophen-3-ylpentan-1-ol (PubChem CID 11819457) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-thiophen-3-ylpentan-1-ol.

Molecular Properties

Compound Name1-thiophen-3-ylpentan-1-ol
PubChem CID11819457
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-thiophen-3-ylpentan-1-ol
SMILESCCCCC(O)c1ccsc1
InChIInChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h5-7,9-10H,2-4H2,1H3
InChIKeyRGCIBLOIRFHCKA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpentan-1-ol?
The IUPAC name of 1-thiophen-3-ylpentan-1-ol (CID 11819457) is 1-thiophen-3-ylpentan-1-ol.
What is the SMILES notation for 1-thiophen-3-ylpentan-1-ol?
The canonical SMILES for 1-thiophen-3-ylpentan-1-ol is CCCCC(O)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylpentan-1-ol?
The InChIKey is RGCIBLOIRFHCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 1-thiophen-3-ylpentan-1-ol?
1-thiophen-3-ylpentan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpentan-1-ol is sourced from PubChem (CID 11819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).