1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone

C17H17FO2 — CID 106880956

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)c1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C17H17FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3
InChIKeyYWCRJFXZOGUHKO-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone (PubChem CID 106880956) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
PubChem CID106880956
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)c1c(C)cc(C)cc1F)c1ccccc1
InChIInChI=1S/C17H17FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3
InChIKeyYWCRJFXZOGUHKO-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
CID 116751452
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
CID 59883683
CID 59883683
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone (CID 106880956) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone is COC(C(=O)c1c(C)cc(C)cc1F)c1ccccc1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone?
The InChIKey is YWCRJFXZOGUHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-9-12(2)15(14(18)10-11)16(19)17(20-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone?
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone has a molecular weight of 272.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone is sourced from PubChem (CID 106880956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).