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

C16H15FO2 — CID 2179596

IUPAC2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
SMILESCc1cccc(OCC(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H15FO2/c1-11-4-3-5-16(12(11)2)19-10-15(18)13-6-8-14(17)9-7-13/h3-9H,10H2,1-2H3
InChIKeyMQSKWUIIOAQMAA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.70
Rot. Bonds4

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

2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone (PubChem CID 2179596) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
PubChem CID2179596
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
SMILESCc1cccc(OCC(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H15FO2/c1-11-4-3-5-16(12(11)2)19-10-15(18)13-6-8-14(17)9-7-13/h3-9H,10H2,1-2H3
InChIKeyMQSKWUIIOAQMAA-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-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
CID 957478
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanone
CID 43612405
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone (CID 2179596) is 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone is Cc1cccc(OCC(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone?
The InChIKey is MQSKWUIIOAQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-4-3-5-16(12(11)2)19-10-15(18)13-6-8-14(17)9-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone?
2-(2,3-dimethylphenoxy)-1-(4-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-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 2179596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).