1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H17FO2 — CID 105095672

IUPAC1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCc1cc(F)ccc1C(=O)COC(C)(C)C
InChIInChI=1S/C13H17FO2/c1-9-7-10(14)5-6-11(9)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3
InChIKeyCWRTXGOKPMVXMD-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105095672) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105095672
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCc1cc(F)ccc1C(=O)COC(C)(C)C
InChIInChI=1S/C13H17FO2/c1-9-7-10(14)5-6-11(9)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3
InChIKeyCWRTXGOKPMVXMD-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
CID 144675666
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105101809
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116590511
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105095672) is 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is Cc1cc(F)ccc1C(=O)COC(C)(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is CWRTXGOKPMVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-7-10(14)5-6-11(9)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 224.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105095672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).