2-(4-bromophenyl)-5-(4-methylphenyl)thiophene

C17H13BrS — CID 174894366

IUPAC2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C17H13BrS/c1-12-2-4-13(5-3-12)16-10-11-17(19-16)14-6-8-15(18)9-7-14/h2-11H,1H3
InChIKeyJURDCGCKQMXFDH-UHFFFAOYSA-N
MW329.26 g/mol
LogP6.15
Rot. Bonds2

About 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene

2-(4-bromophenyl)-5-(4-methylphenyl)thiophene (PubChem CID 174894366) has the molecular formula C17H13BrS and a molecular weight of 329.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
PubChem CID174894366
Molecular FormulaC17H13BrS
Molecular Weight329.26 g/mol
Exact Mass327.99
IUPAC Name2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C17H13BrS/c1-12-2-4-13(5-3-12)16-10-11-17(19-16)14-6-8-15(18)9-7-14/h2-11H,1H3
InChIKeyJURDCGCKQMXFDH-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.26
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
magnesium;1-bromo-4-methylbenzene;hydride
CID 173035021
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254
3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
1-bromo-4-methylbenzene;methylsulfinylmethane
CID 68778706
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;ethane
CID 144877768
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
2-(4-bromophenyl)-5-(5-methylthiophen-2-yl)-1,3-thiazole
CID 14424310

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene?
The IUPAC name of 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene (CID 174894366) is 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene.
What is the SMILES notation for 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene?
The canonical SMILES for 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene is Cc1ccc(-c2ccc(-c3ccc(Br)cc3)s2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene?
The InChIKey is JURDCGCKQMXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrS/c1-12-2-4-13(5-3-12)16-10-11-17(19-16)14-6-8-15(18)9-7-14/h2-11H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene?
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene has a molecular weight of 329.26 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(4-methylphenyl)thiophene is sourced from PubChem (CID 174894366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).