1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol

C12H18OS — CID 105083105

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
SMILESCCCC(O)C1CCCc2sccc21
InChIInChI=1S/C12H18OS/c1-2-4-11(13)9-5-3-6-12-10(9)7-8-14-12/h7-9,11,13H,2-6H2,1H3
InChIKeyQKSMBTXSHGVCPD-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.33
Rot. Bonds3

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol (PubChem CID 105083105) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
PubChem CID105083105
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
SMILESCCCC(O)C1CCCc2sccc21
InChIInChI=1S/C12H18OS/c1-2-4-11(13)9-5-3-6-12-10(9)7-8-14-12/h7-9,11,13H,2-6H2,1H3
InChIKeyQKSMBTXSHGVCPD-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097836
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090257
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105081906
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105157791
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108253
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-4-yn-1-amine
CID 105181415

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol (CID 105083105) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol is CCCC(O)C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol?
The InChIKey is QKSMBTXSHGVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-2-4-11(13)9-5-3-6-12-10(9)7-8-14-12/h7-9,11,13H,2-6H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol has a molecular weight of 210.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol is sourced from PubChem (CID 105083105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).