3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one

C17H17FO — CID 24726343

IUPAC3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FO/c1-12-3-4-13(2)15(11-12)7-10-17(19)14-5-8-16(18)9-6-14/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyXDOZEICPPBXTIM-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.26
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one

3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 24726343) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
PubChem CID24726343
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FO/c1-12-3-4-13(2)15(11-12)7-10-17(19)14-5-8-16(18)9-6-14/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyXDOZEICPPBXTIM-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-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726352
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726186
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one (CID 24726343) is 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one is Cc1ccc(C)c(CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is XDOZEICPPBXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12-3-4-13(2)15(11-12)7-10-17(19)14-5-8-16(18)9-6-14/h3-6,8-9,11H,7,10H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one?
3-(2,5-dimethylphenyl)-1-(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 3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).