4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene

C13H13BrOS — CID 63457355

IUPAC4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
SMILESCc1cccc(C)c1OCc1cc(Br)cs1
InChIInChI=1S/C13H13BrOS/c1-9-4-3-5-10(2)13(9)15-7-12-6-11(14)8-16-12/h3-6,8H,7H2,1-2H3
InChIKeyDRQJGNMTFYJKEW-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.71
Rot. Bonds3

About 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene

4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene (PubChem CID 63457355) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
PubChem CID63457355
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
SMILESCc1cccc(C)c1OCc1cc(Br)cs1
InChIInChI=1S/C13H13BrOS/c1-9-4-3-5-10(2)13(9)15-7-12-6-11(14)8-16-12/h3-6,8H,7H2,1-2H3
InChIKeyDRQJGNMTFYJKEW-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methoxy]-3-methylbenzaldehyde
CID 112610932
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
4-bromo-2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]thiophene
CID 63535500
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzoic acid
CID 63530518
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65471352
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
CID 107723788
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline
CID 114088068
4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
CID 63456534
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene?
The IUPAC name of 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene (CID 63457355) is 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene?
The canonical SMILES for 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene is Cc1cccc(C)c1OCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene?
The InChIKey is DRQJGNMTFYJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-9-4-3-5-10(2)13(9)15-7-12-6-11(14)8-16-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene?
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene has a molecular weight of 297.22 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene is sourced from PubChem (CID 63457355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).