5-(4-fluoro-2-methylphenoxy)pentan-2-one

C12H15FO2 — CID 59148010

IUPAC5-(4-fluoro-2-methylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc(F)cc1C
InChIInChI=1S/C12H15FO2/c1-9-8-11(13)5-6-12(9)15-7-3-4-10(2)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOTICUZVJXLIJTH-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.88
Rot. Bonds5

About 5-(4-fluoro-2-methylphenoxy)pentan-2-one

5-(4-fluoro-2-methylphenoxy)pentan-2-one (PubChem CID 59148010) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenoxy)pentan-2-one.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenoxy)pentan-2-one
PubChem CID59148010
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name5-(4-fluoro-2-methylphenoxy)pentan-2-one
SMILESCC(=O)CCCOc1ccc(F)cc1C
InChIInChI=1S/C12H15FO2/c1-9-8-11(13)5-6-12(9)15-7-3-4-10(2)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOTICUZVJXLIJTH-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluoro-2-methylphenoxy)hexan-3-one
CID 106802146
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044
1-[3-methyl-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91053789
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenoxy)pentan-2-one?
The IUPAC name of 5-(4-fluoro-2-methylphenoxy)pentan-2-one (CID 59148010) is 5-(4-fluoro-2-methylphenoxy)pentan-2-one.
What is the SMILES notation for 5-(4-fluoro-2-methylphenoxy)pentan-2-one?
The canonical SMILES for 5-(4-fluoro-2-methylphenoxy)pentan-2-one is CC(=O)CCCOc1ccc(F)cc1C.
What is the InChIKey of 5-(4-fluoro-2-methylphenoxy)pentan-2-one?
The InChIKey is OTICUZVJXLIJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-8-11(13)5-6-12(9)15-7-3-4-10(2)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenoxy)pentan-2-one?
5-(4-fluoro-2-methylphenoxy)pentan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenoxy)pentan-2-one is sourced from PubChem (CID 59148010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).