1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one

C17H16F2O2 — CID 43232316

IUPAC1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C17H16F2O2/c1-10-4-7-16(11(2)8-10)21-12(3)17(20)14-6-5-13(18)9-15(14)19/h4-9,12H,1-3H3
InChIKeyVRKYKOSJSGIOOV-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.23
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one

1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one (PubChem CID 43232316) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
PubChem CID43232316
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C17H16F2O2/c1-10-4-7-16(11(2)8-10)21-12(3)17(20)14-6-5-13(18)9-15(14)19/h4-9,12H,1-3H3
InChIKeyVRKYKOSJSGIOOV-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
2-(4-bromo-3-methylphenoxy)-1-(2,4-difluorophenyl)propan-1-one
CID 83136274
1-(2,5-dimethylphenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412979
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one (CID 43232316) is 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)c2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one?
The InChIKey is VRKYKOSJSGIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-4-7-16(11(2)8-10)21-12(3)17(20)14-6-5-13(18)9-15(14)19/h4-9,12H,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one?
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one has a molecular weight of 290.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one is sourced from PubChem (CID 43232316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).