4-bromo-2-(cyclohexylmethoxymethyl)thiophene

C12H17BrOS — CID 55219959

IUPAC4-bromo-2-(cyclohexylmethoxymethyl)thiophene
SMILESBrc1csc(COCC2CCCCC2)c1
InChIInChI=1S/C12H17BrOS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h6,9-10H,1-5,7-8H2
InChIKeyDZGGVKQXRNJCCJ-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.61
Rot. Bonds4

About 4-bromo-2-(cyclohexylmethoxymethyl)thiophene

4-bromo-2-(cyclohexylmethoxymethyl)thiophene (PubChem CID 55219959) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-2-(cyclohexylmethoxymethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(cyclohexylmethoxymethyl)thiophene
PubChem CID55219959
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name4-bromo-2-(cyclohexylmethoxymethyl)thiophene
SMILESBrc1csc(COCC2CCCCC2)c1
InChIInChI=1S/C12H17BrOS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h6,9-10H,1-5,7-8H2
InChIKeyDZGGVKQXRNJCCJ-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclohexylmethoxymethyl)thiophene?
The IUPAC name of 4-bromo-2-(cyclohexylmethoxymethyl)thiophene (CID 55219959) is 4-bromo-2-(cyclohexylmethoxymethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(cyclohexylmethoxymethyl)thiophene?
The canonical SMILES for 4-bromo-2-(cyclohexylmethoxymethyl)thiophene is Brc1csc(COCC2CCCCC2)c1.
What is the InChIKey of 4-bromo-2-(cyclohexylmethoxymethyl)thiophene?
The InChIKey is DZGGVKQXRNJCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c13-11-6-12(15-9-11)8-14-7-10-4-2-1-3-5-10/h6,9-10H,1-5,7-8H2.
What are the key properties of 4-bromo-2-(cyclohexylmethoxymethyl)thiophene?
4-bromo-2-(cyclohexylmethoxymethyl)thiophene has a molecular weight of 289.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclohexylmethoxymethyl)thiophene is sourced from PubChem (CID 55219959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).