1-thiophen-3-yloctan-1-ol

C12H20OS — CID 10584670

IUPAC1-thiophen-3-yloctan-1-ol
SMILESCCCCCCCC(O)c1ccsc1
InChIInChI=1S/C12H20OS/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h8-10,12-13H,2-7H2,1H3
InChIKeyFYUHGCZCRYZZGV-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.14
Rot. Bonds7

About 1-thiophen-3-yloctan-1-ol

1-thiophen-3-yloctan-1-ol (PubChem CID 10584670) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-thiophen-3-yloctan-1-ol.

Molecular Properties

Compound Name1-thiophen-3-yloctan-1-ol
PubChem CID10584670
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-thiophen-3-yloctan-1-ol
SMILESCCCCCCCC(O)c1ccsc1
InChIInChI=1S/C12H20OS/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h8-10,12-13H,2-7H2,1H3
InChIKeyFYUHGCZCRYZZGV-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yloctan-1-ol?
The IUPAC name of 1-thiophen-3-yloctan-1-ol (CID 10584670) is 1-thiophen-3-yloctan-1-ol.
What is the SMILES notation for 1-thiophen-3-yloctan-1-ol?
The canonical SMILES for 1-thiophen-3-yloctan-1-ol is CCCCCCCC(O)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yloctan-1-ol?
The InChIKey is FYUHGCZCRYZZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 1-thiophen-3-yloctan-1-ol?
1-thiophen-3-yloctan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yloctan-1-ol is sourced from PubChem (CID 10584670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).