1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one

C17H16BrFO — CID 24726252

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2ccc(Br)cc2F)c1C
InChIInChI=1S/C17H16BrFO/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyBFPSFUKDICOOOJ-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.02
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one

1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (PubChem CID 24726252) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
PubChem CID24726252
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)c2ccc(Br)cc2F)c1C
InChIInChI=1S/C17H16BrFO/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyBFPSFUKDICOOOJ-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1-(4-bromo-2-fluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726632
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
CID 24726242
1-(4-bromo-2-fluorophenyl)hex-4-yn-1-one
CID 114905936
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
3-(2-methylphenyl)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 105099017
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1-(4-bromo-2-fluorophenyl)-5-methylhexan-1-one
CID 114905932

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (CID 24726252) is 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one is Cc1cccc(CCC(=O)c2ccc(Br)cc2F)c1C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
The InChIKey is BFPSFUKDICOOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-11-4-3-5-13(12(11)2)6-9-17(20)15-8-7-14(18)10-16(15)19/h3-5,7-8,10H,6,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one?
1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one has a molecular weight of 335.22 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).