1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one

C13H17FO2 — CID 116708023

IUPAC1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H17FO2/c1-4-5-12(16-3)13(15)10-8-9(2)6-7-11(10)14/h6-8,12H,4-5H2,1-3H3
InChIKeyDAXVXCFQNKTJJU-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one

1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one (PubChem CID 116708023) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
PubChem CID116708023
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H17FO2/c1-4-5-12(16-3)13(15)10-8-9(2)6-7-11(10)14/h6-8,12H,4-5H2,1-3H3
InChIKeyDAXVXCFQNKTJJU-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
ethyl 2-(5-chloro-2-fluorobenzoyl)pentanoate
CID 114887658
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one (CID 116708023) is 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one?
The InChIKey is DAXVXCFQNKTJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-4-5-12(16-3)13(15)10-8-9(2)6-7-11(10)14/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one?
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one is sourced from PubChem (CID 116708023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).