2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one

C17H17FO2 — CID 43412325

IUPAC2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H17FO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3
InChIKeyZAPBQQHTNUEMAQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.09
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one

2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 43412325) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID43412325
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H17FO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3
InChIKeyZAPBQQHTNUEMAQ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
2-(4-bromo-3-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 65201081
1-(3,4-dimethylphenyl)-2-(4-iodophenoxy)propan-1-one
CID 60626864
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
CID 51174584
4-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 3597049
2-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-1-one
CID 43413295
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
2-(3,4-dimethylphenoxy)propanoate
CID 4744716

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one (CID 43412325) is 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one is Cc1ccc(OC(C)C(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is ZAPBQQHTNUEMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-4-9-16(10-12(11)2)20-13(3)17(19)14-5-7-15(18)8-6-14/h4-10,13H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one?
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 272.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 43412325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).