(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone

C16H17BrO2 — CID 114249206

IUPAC(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2c(C)cc(C)c(Br)c2C)c(C)o1
InChIInChI=1S/C16H17BrO2/c1-8-6-9(2)15(17)11(4)14(8)16(18)13-7-10(3)19-12(13)5/h6-7H,1-5H3
InChIKeyZFTQERJYMXHADI-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.82
Rot. Bonds2

About (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone

(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 114249206) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID114249206
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2c(C)cc(C)c(Br)c2C)c(C)o1
InChIInChI=1S/C16H17BrO2/c1-8-6-9(2)15(17)11(4)14(8)16(18)13-7-10(3)19-12(13)5/h6-7H,1-5H3
InChIKeyZFTQERJYMXHADI-UHFFFAOYSA-N
XLogP4.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
CID 114249214
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(5-bromo-7-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115962562
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463533
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
CID 107332666
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone (CID 114249206) is (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2c(C)cc(C)c(Br)c2C)c(C)o1.
What is the InChIKey of (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is ZFTQERJYMXHADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-8-6-9(2)15(17)11(4)14(8)16(18)13-7-10(3)19-12(13)5/h6-7H,1-5H3.
What are the key properties of (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone?
(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 321.21 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 114249206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).