4-thiophen-3-ylbutan-1-ol

C8H12OS — CID 54222621

IUPAC4-thiophen-3-ylbutan-1-ol
SMILESOCCCCc1ccsc1
InChIInChI=1S/C8H12OS/c9-5-2-1-3-8-4-6-10-7-8/h4,6-7,9H,1-3,5H2
InChIKeyQDRAXNOYEBJKPI-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.06
Rot. Bonds4

About 4-thiophen-3-ylbutan-1-ol

4-thiophen-3-ylbutan-1-ol (PubChem CID 54222621) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-thiophen-3-ylbutan-1-ol
PubChem CID54222621
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name4-thiophen-3-ylbutan-1-ol
SMILESOCCCCc1ccsc1
InChIInChI=1S/C8H12OS/c9-5-2-1-3-8-4-6-10-7-8/h4,6-7,9H,1-3,5H2
InChIKeyQDRAXNOYEBJKPI-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-thiophen-3-yldodecan-1-ol
CID 67533520
3-heptylthiophene;3-hexylthiophene
CID 159152668
3-(6-bromohexyl)thiophene
CID 11447992
12-thiophen-3-yldodecane-1-thiol
CID 71363861
5-thiophen-3-ylpentanamide
CID 11171370
6-thiophen-3-ylhexanoic acid
CID 24722734
5-thiophen-3-ylpentanal
CID 15807672
8-thiophen-3-yloctane-1-sulfonic acid
CID 87451833
3-thiophen-3-ylpropyl hydrogen sulfite
CID 174522785
3-(6,6-dimethylheptyl)thiophene
CID 174801737
3-hexadec-15-enylthiophene
CID 139794200
4-thiophen-3-ylbutanoate
CID 86324435

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylbutan-1-ol?
The IUPAC name of 4-thiophen-3-ylbutan-1-ol (CID 54222621) is 4-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 4-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 4-thiophen-3-ylbutan-1-ol is OCCCCc1ccsc1.
What is the InChIKey of 4-thiophen-3-ylbutan-1-ol?
The InChIKey is QDRAXNOYEBJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c9-5-2-1-3-8-4-6-10-7-8/h4,6-7,9H,1-3,5H2.
What are the key properties of 4-thiophen-3-ylbutan-1-ol?
4-thiophen-3-ylbutan-1-ol has a molecular weight of 156.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylbutan-1-ol is sourced from PubChem (CID 54222621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).