3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one

C17H17FO2 — CID 43793611

IUPAC3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FO2/c1-12-9-13(2)11-16(10-12)20-8-7-17(19)14-3-5-15(18)6-4-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVDLVBOIHZUVAKX-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.09
Rot. Bonds5

About 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one

3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 43793611) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID43793611
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FO2/c1-12-9-13(2)11-16(10-12)20-8-7-17(19)14-3-5-15(18)6-4-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVDLVBOIHZUVAKX-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 63567261
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
4-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 60642957
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one (CID 43793611) is 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one is Cc1cc(C)cc(OCCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is VDLVBOIHZUVAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12-9-13(2)11-16(10-12)20-8-7-17(19)14-3-5-15(18)6-4-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 272.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 43793611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).