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

C14H22OS — CID 105086077

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
SMILESCCCCCC(O)C1CCCc2sccc21
InChIInChI=1S/C14H22OS/c1-2-3-4-7-13(15)11-6-5-8-14-12(11)9-10-16-14/h9-11,13,15H,2-8H2,1H3
InChIKeyABAQKWTWDIKDKV-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.11
Rot. Bonds5

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

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol (PubChem CID 105086077) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
PubChem CID105086077
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
SMILESCCCCCC(O)C1CCCc2sccc21
InChIInChI=1S/C14H22OS/c1-2-3-4-7-13(15)11-6-5-8-14-12(11)9-10-16-14/h9-11,13,15H,2-8H2,1H3
InChIKeyABAQKWTWDIKDKV-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.11
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

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
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)-3-thiophen-3-ylpropan-1-ol
CID 105097836
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
1-butoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-2-ol
CID 107262780
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105157791
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
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)hexan-1-ol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol (CID 105086077) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol is CCCCCC(O)C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol?
The InChIKey is ABAQKWTWDIKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-2-3-4-7-13(15)11-6-5-8-14-12(11)9-10-16-14/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.11, 5 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)hexan-1-ol is sourced from PubChem (CID 105086077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).