2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene

C22H24S — CID 155809012

IUPAC2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene
SMILESc1csc([C@H](CC2CCCCC2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24S/c1-2-7-17(8-3-1)15-21(22-11-6-14-23-22)20-13-12-18-9-4-5-10-19(18)16-20/h4-6,9-14,16-17,21H,1-3,7-8,15H2/t21-/m1/s1
InChIKeyISAVTOHZWSDEHI-OAQYLSRUSA-N
MW320.50 g/mol
LogP7.00
Rot. Bonds4

About 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene

2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene (PubChem CID 155809012) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene.

Molecular Properties

Compound Name2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene
PubChem CID155809012
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Name2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene
SMILESc1csc([C@H](CC2CCCCC2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24S/c1-2-7-17(8-3-1)15-21(22-11-6-14-23-22)20-13-12-18-9-4-5-10-19(18)16-20/h4-6,9-14,16-17,21H,1-3,7-8,15H2/t21-/m1/s1
InChIKeyISAVTOHZWSDEHI-OAQYLSRUSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene?
The IUPAC name of 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene (CID 155809012) is 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene.
What is the SMILES notation for 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene?
The canonical SMILES for 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene is c1csc([C@H](CC2CCCCC2)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene?
The InChIKey is ISAVTOHZWSDEHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24S/c1-2-7-17(8-3-1)15-21(22-11-6-14-23-22)20-13-12-18-9-4-5-10-19(18)16-20/h4-6,9-14,16-17,21H,1-3,7-8,15H2/t21-/m1/s1.
What are the key properties of 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene?
2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene has a molecular weight of 320.50 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene is sourced from PubChem (CID 155809012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).