2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone

C16H15FO2 — CID 43612481

IUPAC2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H15FO2/c1-11-6-7-16(12(2)8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyHJMWHFCWONCSDS-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.70
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone

2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone (PubChem CID 43612481) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
PubChem CID43612481
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H15FO2/c1-11-6-7-16(12(2)8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyHJMWHFCWONCSDS-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
CID 4981135
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone (CID 43612481) is 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone is Cc1ccc(OCC(=O)c2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone?
The InChIKey is HJMWHFCWONCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-6-7-16(12(2)8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone?
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone has a molecular weight of 258.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 43612481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).