2-(2-methylcyclohexyl)-1-benzothiophen-6-ol

C15H18OS — CID 69049794

IUPAC2-(2-methylcyclohexyl)-1-benzothiophen-6-ol
SMILESCC1CCCCC1c1cc2ccc(O)cc2s1
InChIInChI=1S/C15H18OS/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h6-10,13,16H,2-5H2,1H3
InChIKeyRWUHFQOOAMVBHD-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.90
Rot. Bonds1

About 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol

2-(2-methylcyclohexyl)-1-benzothiophen-6-ol (PubChem CID 69049794) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-1-benzothiophen-6-ol
PubChem CID69049794
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name2-(2-methylcyclohexyl)-1-benzothiophen-6-ol
SMILESCC1CCCCC1c1cc2ccc(O)cc2s1
InChIInChI=1S/C15H18OS/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h6-10,13,16H,2-5H2,1H3
InChIKeyRWUHFQOOAMVBHD-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol (CID 69049794) is 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol is CC1CCCCC1c1cc2ccc(O)cc2s1.
What is the InChIKey of 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol?
The InChIKey is RWUHFQOOAMVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16)9-14(11)17-15/h6-10,13,16H,2-5H2,1H3.
What are the key properties of 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol?
2-(2-methylcyclohexyl)-1-benzothiophen-6-ol has a molecular weight of 246.38 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 69049794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).