(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone

C17H17FO — CID 43337574

IUPAC(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H17FO/c1-10-7-12(3)16(13(4)8-10)17(19)14-6-5-11(2)15(18)9-14/h5-9H,1-4H3
InChIKeyYXJAVWVHLJKWFN-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.29
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone

(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43337574) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43337574
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H17FO/c1-10-7-12(3)16(13(4)8-10)17(19)14-6-5-11(2)15(18)9-14/h5-9H,1-4H3
InChIKeyYXJAVWVHLJKWFN-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
3-fluoro-4-methyl-N-oxobenzamide
CID 126760596
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone (CID 43337574) is (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is YXJAVWVHLJKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-10-7-12(3)16(13(4)8-10)17(19)14-6-5-11(2)15(18)9-14/h5-9H,1-4H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone?
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 256.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43337574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).