2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone

C18H19FO — CID 65299275

IUPAC2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)c(F)c(C)c2)cc1C
InChIInChI=1S/C18H19FO/c1-11-5-6-15(7-12(11)2)10-17(20)16-8-13(3)18(19)14(4)9-16/h5-9H,10H2,1-4H3
InChIKeyXQJOITFWGSOVEU-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.48
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone

2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone (PubChem CID 65299275) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
PubChem CID65299275
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)c(F)c(C)c2)cc1C
InChIInChI=1S/C18H19FO/c1-11-5-6-15(7-12(11)2)10-17(20)16-8-13(3)18(19)14(4)9-16/h5-9H,10H2,1-4H3
InChIKeyXQJOITFWGSOVEU-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone (CID 65299275) is 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(C)c(F)c(C)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
The InChIKey is XQJOITFWGSOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-11-5-6-15(7-12(11)2)10-17(20)16-8-13(3)18(19)14(4)9-16/h5-9H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone?
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 65299275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).