3-bromo-4-(4-methylcyclohexen-1-yl)thiophene

C11H13BrS — CID 19874620

IUPAC3-bromo-4-(4-methylcyclohexen-1-yl)thiophene
SMILESCC1CC=C(c2cscc2Br)CC1
InChIInChI=1S/C11H13BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h4,6-8H,2-3,5H2,1H3
InChIKeyKDVZMHPEWUFLKL-UHFFFAOYSA-N
MW257.20 g/mol
LogP4.71
Rot. Bonds1

About 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene

3-bromo-4-(4-methylcyclohexen-1-yl)thiophene (PubChem CID 19874620) has the molecular formula C11H13BrS and a molecular weight of 257.20 g/mol. Its IUPAC name is 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(4-methylcyclohexen-1-yl)thiophene
PubChem CID19874620
Molecular FormulaC11H13BrS
Molecular Weight257.20 g/mol
Exact Mass255.99
IUPAC Name3-bromo-4-(4-methylcyclohexen-1-yl)thiophene
SMILESCC1CC=C(c2cscc2Br)CC1
InChIInChI=1S/C11H13BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h4,6-8H,2-3,5H2,1H3
InChIKeyKDVZMHPEWUFLKL-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 54.71
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-methylcyclohexen-1-yl)thiophene?
The IUPAC name of 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene (CID 19874620) is 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene.
What is the SMILES notation for 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene?
The canonical SMILES for 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene is CC1CC=C(c2cscc2Br)CC1.
What is the InChIKey of 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene?
The InChIKey is KDVZMHPEWUFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrS/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 3-bromo-4-(4-methylcyclohexen-1-yl)thiophene?
3-bromo-4-(4-methylcyclohexen-1-yl)thiophene has a molecular weight of 257.20 g/mol, XLogP of 4.71, 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-methylcyclohexen-1-yl)thiophene is sourced from PubChem (CID 19874620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).