3-bromo-4-(4-methylcyclohexyl)thiophene

C11H15BrS — CID 82380269

IUPAC3-bromo-4-(4-methylcyclohexyl)thiophene
SMILESCC1CCC(c2cscc2Br)CC1
InChIInChI=1S/C11H15BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h6-9H,2-5H2,1H3
InChIKeyMSNJXJOMIAZBPU-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.80
Rot. Bonds1

About 3-bromo-4-(4-methylcyclohexyl)thiophene

3-bromo-4-(4-methylcyclohexyl)thiophene (PubChem CID 82380269) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-bromo-4-(4-methylcyclohexyl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(4-methylcyclohexyl)thiophene
PubChem CID82380269
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-bromo-4-(4-methylcyclohexyl)thiophene
SMILESCC1CCC(c2cscc2Br)CC1
InChIInChI=1S/C11H15BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h6-9H,2-5H2,1H3
InChIKeyMSNJXJOMIAZBPU-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methylcyclohexyl)thiophene?
The IUPAC name of 3-bromo-4-(4-methylcyclohexyl)thiophene (CID 82380269) is 3-bromo-4-(4-methylcyclohexyl)thiophene.
What is the SMILES notation for 3-bromo-4-(4-methylcyclohexyl)thiophene?
The canonical SMILES for 3-bromo-4-(4-methylcyclohexyl)thiophene is CC1CCC(c2cscc2Br)CC1.
What is the InChIKey of 3-bromo-4-(4-methylcyclohexyl)thiophene?
The InChIKey is MSNJXJOMIAZBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h6-9H,2-5H2,1H3.
What are the key properties of 3-bromo-4-(4-methylcyclohexyl)thiophene?
3-bromo-4-(4-methylcyclohexyl)thiophene has a molecular weight of 259.21 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methylcyclohexyl)thiophene is sourced from PubChem (CID 82380269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).