6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene

C16H20OS — CID 19002831

IUPAC6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene
SMILESCOc1ccc2cc(C3CCC(C)CC3)sc2c1
InChIInChI=1S/C16H20OS/c1-11-3-5-12(6-4-11)15-9-13-7-8-14(17-2)10-16(13)18-15/h7-12H,3-6H2,1-2H3
InChIKeyHXVRAEBXTHSWGL-UHFFFAOYSA-N
MW260.40 g/mol
LogP5.20
Rot. Bonds2

About 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene

6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene (PubChem CID 19002831) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene
PubChem CID19002831
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene
SMILESCOc1ccc2cc(C3CCC(C)CC3)sc2c1
InChIInChI=1S/C16H20OS/c1-11-3-5-12(6-4-11)15-9-13-7-8-14(17-2)10-16(13)18-15/h7-12H,3-6H2,1-2H3
InChIKeyHXVRAEBXTHSWGL-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene?
The IUPAC name of 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene (CID 19002831) is 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene?
The canonical SMILES for 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene is COc1ccc2cc(C3CCC(C)CC3)sc2c1.
What is the InChIKey of 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene?
The InChIKey is HXVRAEBXTHSWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-11-3-5-12(6-4-11)15-9-13-7-8-14(17-2)10-16(13)18-15/h7-12H,3-6H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene?
6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene has a molecular weight of 260.40 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene is sourced from PubChem (CID 19002831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).