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

C17H17FO — CID 24726186

IUPAC1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO/c1-12-3-9-16(13(2)11-12)17(19)10-6-14-4-7-15(18)8-5-14/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyUYBIMPCGDVIXKO-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.26
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one (PubChem CID 24726186) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
PubChem CID24726186
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO/c1-12-3-9-16(13(2)11-12)17(19)10-6-14-4-7-15(18)8-5-14/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyUYBIMPCGDVIXKO-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

N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one (CID 24726186) is 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one is Cc1ccc(C(=O)CCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one?
The InChIKey is UYBIMPCGDVIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12-3-9-16(13(2)11-12)17(19)10-6-14-4-7-15(18)8-5-14/h3-5,7-9,11H,6,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one?
1-(2,4-dimethylphenyl)-3-(4-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 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).