2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone

C17H17FO — CID 115792574

IUPAC2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(C)cccc2C)c(F)c1
InChIInChI=1S/C17H17FO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3
InChIKeyANJALOHQIFBMJP-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.18
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone

2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 115792574) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
PubChem CID115792574
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(C)cccc2C)c(F)c1
InChIInChI=1S/C17H17FO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3
InChIKeyANJALOHQIFBMJP-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116597713

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone (CID 115792574) is 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2c(C)cccc2C)c(F)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is ANJALOHQIFBMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone?
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 115792574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).