5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene

C16H19BrS — CID 65238505

IUPAC5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(C)c(C(Br)c2cc(C)c(C)s2)c(C)c1
InChIInChI=1S/C16H19BrS/c1-9-6-11(3)15(12(4)7-9)16(17)14-8-10(2)13(5)18-14/h6-8,16H,1-5H3
InChIKeyMWKONOYOFBFRAT-UHFFFAOYSA-N
MW323.30 g/mol
LogP5.77
Rot. Bonds2

About 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene

5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene (PubChem CID 65238505) has the molecular formula C16H19BrS and a molecular weight of 323.30 g/mol. Its IUPAC name is 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene
PubChem CID65238505
Molecular FormulaC16H19BrS
Molecular Weight323.30 g/mol
Exact Mass322.04
IUPAC Name5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(C)c(C(Br)c2cc(C)c(C)s2)c(C)c1
InChIInChI=1S/C16H19BrS/c1-9-6-11(3)15(12(4)7-9)16(17)14-8-10(2)13(5)18-14/h6-8,16H,1-5H3
InChIKeyMWKONOYOFBFRAT-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.30
LogP ≤ 55.77
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

5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
CID 81472982
2-[bromo-(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261943
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
5-[bromo-(4-propan-2-yloxyphenyl)methyl]-2,3-dimethylthiophene
CID 65237949
2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238300
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 113396942
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene (CID 65238505) is 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene is Cc1cc(C)c(C(Br)c2cc(C)c(C)s2)c(C)c1.
What is the InChIKey of 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene?
The InChIKey is MWKONOYOFBFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrS/c1-9-6-11(3)15(12(4)7-9)16(17)14-8-10(2)13(5)18-14/h6-8,16H,1-5H3.
What are the key properties of 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene?
5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene has a molecular weight of 323.30 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene is sourced from PubChem (CID 65238505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).