3-bromo-2,4-dimethyl-5-phenylthiophene

C12H11BrS — CID 44629772

IUPAC3-bromo-2,4-dimethyl-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C12H11BrS/c1-8-11(13)9(2)14-12(8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyVJMJMLJTIYJVQY-UHFFFAOYSA-N
MW267.19 g/mol
LogP4.79
Rot. Bonds1

About 3-bromo-2,4-dimethyl-5-phenylthiophene

3-bromo-2,4-dimethyl-5-phenylthiophene (PubChem CID 44629772) has the molecular formula C12H11BrS and a molecular weight of 267.19 g/mol. Its IUPAC name is 3-bromo-2,4-dimethyl-5-phenylthiophene.

Molecular Properties

Compound Name3-bromo-2,4-dimethyl-5-phenylthiophene
PubChem CID44629772
Molecular FormulaC12H11BrS
Molecular Weight267.19 g/mol
Exact Mass265.98
IUPAC Name3-bromo-2,4-dimethyl-5-phenylthiophene
SMILESCc1sc(-c2ccccc2)c(C)c1Br
InChIInChI=1S/C12H11BrS/c1-8-11(13)9(2)14-12(8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyVJMJMLJTIYJVQY-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dimethyl-5-phenylthiophene?
The IUPAC name of 3-bromo-2,4-dimethyl-5-phenylthiophene (CID 44629772) is 3-bromo-2,4-dimethyl-5-phenylthiophene.
What is the SMILES notation for 3-bromo-2,4-dimethyl-5-phenylthiophene?
The canonical SMILES for 3-bromo-2,4-dimethyl-5-phenylthiophene is Cc1sc(-c2ccccc2)c(C)c1Br.
What is the InChIKey of 3-bromo-2,4-dimethyl-5-phenylthiophene?
The InChIKey is VJMJMLJTIYJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS/c1-8-11(13)9(2)14-12(8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3-bromo-2,4-dimethyl-5-phenylthiophene?
3-bromo-2,4-dimethyl-5-phenylthiophene has a molecular weight of 267.19 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dimethyl-5-phenylthiophene is sourced from PubChem (CID 44629772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).