2-cyclohexyldibenzothiophene

C18H18S — CID 154097064

IUPAC2-cyclohexyldibenzothiophene
SMILESc1ccc2c(c1)sc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyKSSFNRLJBBVWDI-UHFFFAOYSA-N
MW266.41 g/mol
LogP6.10
Rot. Bonds1

About 2-cyclohexyldibenzothiophene

2-cyclohexyldibenzothiophene (PubChem CID 154097064) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-cyclohexyldibenzothiophene.

Molecular Properties

Compound Name2-cyclohexyldibenzothiophene
PubChem CID154097064
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name2-cyclohexyldibenzothiophene
SMILESc1ccc2c(c1)sc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyKSSFNRLJBBVWDI-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyldibenzothiophene?
The IUPAC name of 2-cyclohexyldibenzothiophene (CID 154097064) is 2-cyclohexyldibenzothiophene.
What is the SMILES notation for 2-cyclohexyldibenzothiophene?
The canonical SMILES for 2-cyclohexyldibenzothiophene is c1ccc2c(c1)sc1ccc(C3CCCCC3)cc12.
What is the InChIKey of 2-cyclohexyldibenzothiophene?
The InChIKey is KSSFNRLJBBVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 2-cyclohexyldibenzothiophene?
2-cyclohexyldibenzothiophene has a molecular weight of 266.41 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyldibenzothiophene is sourced from PubChem (CID 154097064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).