(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone

C16H14BrFO — CID 43337541

IUPAC(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C16H14BrFO/c1-9-6-10(2)15(11(3)7-9)16(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3
InChIKeyWXRCIWHJPBKCDL-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.74
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone

(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43337541) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43337541
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C16H14BrFO/c1-9-6-10(2)15(11(3)7-9)16(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3
InChIKeyWXRCIWHJPBKCDL-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515034
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone (CID 43337541) is (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(Br)cc2F)c(C)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is WXRCIWHJPBKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-9-6-10(2)15(11(3)7-9)16(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 321.19 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43337541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).