1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol

C17H22OS — CID 81142519

IUPAC1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2cccc3ccsc23)CC1
InChIInChI=1S/C17H22OS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13,18H,2,4,7-8,10-11H2,1H3
InChIKeyQRAZSHRKYWSEBB-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.08
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol

1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol (PubChem CID 81142519) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
PubChem CID81142519
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2cccc3ccsc23)CC1
InChIInChI=1S/C17H22OS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13,18H,2,4,7-8,10-11H2,1H3
InChIKeyQRAZSHRKYWSEBB-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol (CID 81142519) is 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(c2cccc3ccsc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol?
The InChIKey is QRAZSHRKYWSEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13,18H,2,4,7-8,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol?
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol has a molecular weight of 274.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 81142519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).