3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene

C15H17BrS — CID 63442261

IUPAC3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(C)c(C(Br)c2ccsc2)c1C
InChIInChI=1S/C15H17BrS/c1-9-7-10(2)12(4)14(11(9)3)15(16)13-5-6-17-8-13/h5-8,15H,1-4H3
InChIKeyBHNNCWBLRUZGEN-UHFFFAOYSA-N
MW309.27 g/mol
LogP5.47
Rot. Bonds2

About 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene

3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene (PubChem CID 63442261) has the molecular formula C15H17BrS and a molecular weight of 309.27 g/mol. Its IUPAC name is 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
PubChem CID63442261
Molecular FormulaC15H17BrS
Molecular Weight309.27 g/mol
Exact Mass308.02
IUPAC Name3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(C)c(C(Br)c2ccsc2)c1C
InChIInChI=1S/C15H17BrS/c1-9-7-10(2)12(4)14(11(9)3)15(16)13-5-6-17-8-13/h5-8,15H,1-4H3
InChIKeyBHNNCWBLRUZGEN-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.27
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[bromo-(3,4-dimethylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442265
3-[bromo-(4-fluoro-3-methylphenyl)methyl]thiophene
CID 79746992
3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 61096009
3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
CID 61098752
3-[bromo-(3,5-dichlorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442400
3-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]thiophene
CID 65432606
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442220
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene?
The IUPAC name of 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene (CID 63442261) is 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene.
What is the SMILES notation for 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene?
The canonical SMILES for 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene is Cc1cc(C)c(C)c(C(Br)c2ccsc2)c1C.
What is the InChIKey of 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene?
The InChIKey is BHNNCWBLRUZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrS/c1-9-7-10(2)12(4)14(11(9)3)15(16)13-5-6-17-8-13/h5-8,15H,1-4H3.
What are the key properties of 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene?
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene has a molecular weight of 309.27 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]thiophene is sourced from PubChem (CID 63442261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).