[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol

C17H22OS — CID 106657550

IUPAC[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(/C1=C/CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C17H22OS/c18-17(13-8-4-2-1-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-8,10-11,15,17-18H,1-5,9,12H2/b13-8+
InChIKeyYLGREBFHRNECDM-MDWZMJQESA-N
MW274.43 g/mol
LogP4.52
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol

[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 106657550) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID106657550
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(/C1=C/CCCCCC1)C1CSc2ccccc21
InChIInChI=1S/C17H22OS/c18-17(13-8-4-2-1-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-8,10-11,15,17-18H,1-5,9,12H2/b13-8+
InChIKeyYLGREBFHRNECDM-MDWZMJQESA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol 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

cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709562
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105077495
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105132247
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105131461
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
CID 103138798
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 106657550) is [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol is OC(/C1=C/CCCCCC1)C1CSc2ccccc21.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is YLGREBFHRNECDM-MDWZMJQESA-N. The full InChI is InChI=1S/C17H22OS/c18-17(13-8-4-2-1-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h6-8,10-11,15,17-18H,1-5,9,12H2/b13-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 274.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 106657550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).