3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene

C13H13BrOS — CID 134832933

IUPAC3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
SMILESCOc1ccc(-c2c(C)sc(C)c2Br)cc1
InChIInChI=1S/C13H13BrOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyUAQLGCDMFHCKBN-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.80
Rot. Bonds2

About 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene

3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene (PubChem CID 134832933) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
PubChem CID134832933
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
SMILESCOc1ccc(-c2c(C)sc(C)c2Br)cc1
InChIInChI=1S/C13H13BrOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyUAQLGCDMFHCKBN-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 83971393
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 122480470
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2,5-dibromo-3-(4-methoxyphenyl)thiophene
CID 12772916
4-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 54747265
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The IUPAC name of 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene (CID 134832933) is 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The canonical SMILES for 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene is COc1ccc(-c2c(C)sc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The InChIKey is UAQLGCDMFHCKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene has a molecular weight of 297.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene is sourced from PubChem (CID 134832933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).