(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone

C17H17FO — CID 106883185

IUPAC(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C17H17FO/c1-10-5-6-14(12(3)7-10)17(19)16-13(4)8-11(2)9-15(16)18/h5-9H,1-4H3
InChIKeyRLGPVSHBGOKLFX-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.29
Rot. Bonds2

About (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone

(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883185) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883185
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C17H17FO/c1-10-5-6-14(12(3)7-10)17(19)16-13(4)8-11(2)9-15(16)18/h5-9H,1-4H3
InChIKeyRLGPVSHBGOKLFX-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

(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337541
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
CID 106883290
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883185) is (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1ccc(C(=O)c2c(C)cc(C)cc2F)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is RLGPVSHBGOKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-10-5-6-14(12(3)7-10)17(19)16-13(4)8-11(2)9-15(16)18/h5-9H,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)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 (2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).