5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene

C13H13BrOS — CID 66692858

IUPAC5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene
SMILESCOc1ccc(Cc2cc(Br)sc2C)cc1
InChIInChI=1S/C13H13BrOS/c1-9-11(8-13(14)16-9)7-10-3-5-12(15-2)6-4-10/h3-6,8H,7H2,1-2H3
InChIKeyWDKOPSIRSCMOCP-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.42
Rot. Bonds3

About 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene

5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene (PubChem CID 66692858) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene
PubChem CID66692858
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene
SMILESCOc1ccc(Cc2cc(Br)sc2C)cc1
InChIInChI=1S/C13H13BrOS/c1-9-11(8-13(14)16-9)7-10-3-5-12(15-2)6-4-10/h3-6,8H,7H2,1-2H3
InChIKeyWDKOPSIRSCMOCP-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
[4-bromo-2-[(4-methoxyphenyl)methyl]phenyl]-[2-[4-bromo-2-[(4-methoxyphenyl)methyl]phenyl]phosphanylethyl]phosphane
CID 57210823
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
[4-methoxy-3,5-bis[(4-methoxyphenyl)methyl]phenyl]methanol
CID 73213834
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
CID 68508127
6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
CID 169224423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene?
The IUPAC name of 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene (CID 66692858) is 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene.
What is the SMILES notation for 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene?
The canonical SMILES for 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene is COc1ccc(Cc2cc(Br)sc2C)cc1.
What is the InChIKey of 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene?
The InChIKey is WDKOPSIRSCMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-11(8-13(14)16-9)7-10-3-5-12(15-2)6-4-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene?
5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene has a molecular weight of 297.22 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene is sourced from PubChem (CID 66692858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).