1-(1-benzothiophen-3-yl)oct-7-en-1-ol

C16H20OS — CID 107012182

IUPAC1-(1-benzothiophen-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1csc2ccccc12
InChIInChI=1S/C16H20OS/c1-2-3-4-5-6-10-15(17)14-12-18-16-11-8-7-9-13(14)16/h2,7-9,11-12,15,17H,1,3-6,10H2
InChIKeyWBSWUMICOWWAMX-UHFFFAOYSA-N
MW260.40 g/mol
LogP5.07
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)oct-7-en-1-ol

1-(1-benzothiophen-3-yl)oct-7-en-1-ol (PubChem CID 107012182) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)oct-7-en-1-ol
PubChem CID107012182
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-(1-benzothiophen-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1csc2ccccc12
InChIInChI=1S/C16H20OS/c1-2-3-4-5-6-10-15(17)14-12-18-16-11-8-7-9-13(14)16/h2,7-9,11-12,15,17H,1,3-6,10H2
InChIKeyWBSWUMICOWWAMX-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
3-(1-benzothiophen-3-yl)-3-hydroxypropanal
CID 114795243
1-(1-benzothiophen-3-yl)oct-7-en-1-one
CID 107011236
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
1-(1-benzothiophen-3-yl)but-3-enylhydrazine
CID 105289618
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
CID 171277620
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)oct-7-en-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)oct-7-en-1-ol (CID 107012182) is 1-(1-benzothiophen-3-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)oct-7-en-1-ol?
The InChIKey is WBSWUMICOWWAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-2-3-4-5-6-10-15(17)14-12-18-16-11-8-7-9-13(14)16/h2,7-9,11-12,15,17H,1,3-6,10H2.
What are the key properties of 1-(1-benzothiophen-3-yl)oct-7-en-1-ol?
1-(1-benzothiophen-3-yl)oct-7-en-1-ol has a molecular weight of 260.40 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)oct-7-en-1-ol is sourced from PubChem (CID 107012182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).