1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H17FO2 — CID 107129938

IUPAC1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCc1ccc(C(=O)COC(C)(C)C)cc1F
InChIInChI=1S/C13H17FO2/c1-9-5-6-10(7-11(9)14)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3
InChIKeyINPOOJKEGUQGJU-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 107129938) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID107129938
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCc1ccc(C(=O)COC(C)(C)C)cc1F
InChIInChI=1S/C13H17FO2/c1-9-5-6-10(7-11(9)14)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3
InChIKeyINPOOJKEGUQGJU-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-(4-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105095672
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128425
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
2-amino-1-(3-fluoro-4-methylphenyl)ethanone;methyl 3-fluoro-4-methylbenzoate
CID 160772754
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
1-(3-fluoro-4-methylphenyl)pent-4-yn-1-one
CID 63656892
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]benzonitrile
CID 43800326
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 107129938) is 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is Cc1ccc(C(=O)COC(C)(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is INPOOJKEGUQGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-5-6-10(7-11(9)14)12(15)8-16-13(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 107129938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).