8-thiophen-2-yloctan-4-ol

C12H20OS — CID 64516293

IUPAC8-thiophen-2-yloctan-4-ol
SMILESCCCC(O)CCCCc1cccs1
InChIInChI=1S/C12H20OS/c1-2-6-11(13)7-3-4-8-12-9-5-10-14-12/h5,9-11,13H,2-4,6-8H2,1H3
InChIKeyCTPUKFMHDDPABW-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.62
Rot. Bonds7

About 8-thiophen-2-yloctan-4-ol

8-thiophen-2-yloctan-4-ol (PubChem CID 64516293) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 8-thiophen-2-yloctan-4-ol.

Molecular Properties

Compound Name8-thiophen-2-yloctan-4-ol
PubChem CID64516293
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name8-thiophen-2-yloctan-4-ol
SMILESCCCC(O)CCCCc1cccs1
InChIInChI=1S/C12H20OS/c1-2-6-11(13)7-3-4-8-12-9-5-10-14-12/h5,9-11,13H,2-4,6-8H2,1H3
InChIKeyCTPUKFMHDDPABW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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

6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
ethane;2-pentylthiophene
CID 143883800
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
methane;2-undecylthiophene
CID 175504380
7-thiophen-2-ylheptan-3-amine
CID 64505571
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-butylthiophene;methanamine
CID 143080300
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
CID 111120759
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080

Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-yloctan-4-ol?
The IUPAC name of 8-thiophen-2-yloctan-4-ol (CID 64516293) is 8-thiophen-2-yloctan-4-ol.
What is the SMILES notation for 8-thiophen-2-yloctan-4-ol?
The canonical SMILES for 8-thiophen-2-yloctan-4-ol is CCCC(O)CCCCc1cccs1.
What is the InChIKey of 8-thiophen-2-yloctan-4-ol?
The InChIKey is CTPUKFMHDDPABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-6-11(13)7-3-4-8-12-9-5-10-14-12/h5,9-11,13H,2-4,6-8H2,1H3.
What are the key properties of 8-thiophen-2-yloctan-4-ol?
8-thiophen-2-yloctan-4-ol has a molecular weight of 212.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-yloctan-4-ol is sourced from PubChem (CID 64516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).