1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one

C11H13FO2 — CID 79705089

IUPAC1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H13FO2/c1-7-4-9(6-10(12)5-7)11(13)8(2)14-3/h4-6,8H,1-3H3
InChIKeyMCDLLYBIZOHGET-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one

1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one (PubChem CID 79705089) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
PubChem CID79705089
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H13FO2/c1-7-4-9(6-10(12)5-7)11(13)8(2)14-3/h4-6,8H,1-3H3
InChIKeyMCDLLYBIZOHGET-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one
CID 116613443
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
CID 79704799
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608
methyl 3,5-difluorobenzoate
CID 2775360
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254
2-(butan-2-ylamino)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116556128
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one (CID 79705089) is 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one is COC(C)C(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one?
The InChIKey is MCDLLYBIZOHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-9(6-10(12)5-7)11(13)8(2)14-3/h4-6,8H,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one?
1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one is sourced from PubChem (CID 79705089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).