(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

C16H14BrFO — CID 65299227

IUPAC(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H14BrFO/c1-9-8-13(17)4-5-14(9)16(19)12-6-10(2)15(18)11(3)7-12/h4-8H,1-3H3
InChIKeyUDISLFASMUKMAU-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.74
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 65299227) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID65299227
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H14BrFO/c1-9-8-13(17)4-5-14(9)16(19)12-6-10(2)15(18)11(3)7-12/h4-8H,1-3H3
InChIKeyUDISLFASMUKMAU-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

(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
CID 114029200
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (CID 65299227) is (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(Br)ccc1C(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is UDISLFASMUKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-9-8-13(17)4-5-14(9)16(19)12-6-10(2)15(18)11(3)7-12/h4-8H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)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-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 65299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).