2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene

C12H10BrClS — CID 175132024

IUPAC2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(Cc2cc(Br)ccc2Cl)s1
InChIInChI=1S/C12H10BrClS/c1-8-2-4-11(15-8)7-9-6-10(13)3-5-12(9)14/h2-6H,7H2,1H3
InChIKeyGNOGDNASGHTOIV-UHFFFAOYSA-N
MW301.64 g/mol
LogP5.06
Rot. Bonds2

About 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene

2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene (PubChem CID 175132024) has the molecular formula C12H10BrClS and a molecular weight of 301.64 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene
PubChem CID175132024
Molecular FormulaC12H10BrClS
Molecular Weight301.64 g/mol
Exact Mass299.94
IUPAC Name2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(Cc2cc(Br)ccc2Cl)s1
InChIInChI=1S/C12H10BrClS/c1-8-2-4-11(15-8)7-9-6-10(13)3-5-12(9)14/h2-6H,7H2,1H3
InChIKeyGNOGDNASGHTOIV-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.64
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene (CID 175132024) is 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene is Cc1ccc(Cc2cc(Br)ccc2Cl)s1.
What is the InChIKey of 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene?
The InChIKey is GNOGDNASGHTOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClS/c1-8-2-4-11(15-8)7-9-6-10(13)3-5-12(9)14/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene?
2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene has a molecular weight of 301.64 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 175132024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).