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

C17H17FO — CID 24726289

IUPAC3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FO/c1-12-6-7-14(13(2)10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHIRGTXNSUJAYIV-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.26
Rot. Bonds4

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

3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 24726289) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
PubChem CID24726289
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FO/c1-12-6-7-14(13(2)10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHIRGTXNSUJAYIV-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one (CID 24726289) is 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one is Cc1ccc(CCC(=O)c2cccc(F)c2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is HIRGTXNSUJAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12-6-7-14(13(2)10-12)8-9-17(19)15-4-3-5-16(18)11-15/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one?
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 256.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).