1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol

C18H24OS — CID 81154320

IUPAC1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C18H24OS/c1-2-4-13-7-9-14(10-8-13)17(19)16-6-3-5-15-11-12-20-18(15)16/h3,5-6,11-14,17,19H,2,4,7-10H2,1H3
InChIKeyXIXZKNQAZFQVCV-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.54
Rot. Bonds4

About 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol

1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol (PubChem CID 81154320) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
PubChem CID81154320
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C18H24OS/c1-2-4-13-7-9-14(10-8-13)17(19)16-6-3-5-15-11-12-20-18(15)16/h3,5-6,11-14,17,19H,2,4,7-10H2,1H3
InChIKeyXIXZKNQAZFQVCV-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
CID 81142519
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
CID 81142096
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
CID 81153500
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
CID 81146481
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
(4-methoxy-2-methylphenyl)-(4-propylcyclohexyl)methanol
CID 65423725
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol (CID 81154320) is 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol is CCCC1CCC(C(O)c2cccc3ccsc23)CC1.
What is the InChIKey of 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol?
The InChIKey is XIXZKNQAZFQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-2-4-13-7-9-14(10-8-13)17(19)16-6-3-5-15-11-12-20-18(15)16/h3,5-6,11-14,17,19H,2,4,7-10H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol?
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol has a molecular weight of 288.46 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol is sourced from PubChem (CID 81154320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).