1-(5-fluoro-2-methoxyphenyl)hexan-1-one

C13H17FO2 — CID 43161521

IUPAC1-(5-fluoro-2-methoxyphenyl)hexan-1-one
SMILESCCCCCC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO2/c1-3-4-5-6-12(15)11-9-10(14)7-8-13(11)16-2/h7-9H,3-6H2,1-2H3
InChIKeyPITTZRGDXFQDKO-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.60
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)hexan-1-one

1-(5-fluoro-2-methoxyphenyl)hexan-1-one (PubChem CID 43161521) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)hexan-1-one
PubChem CID43161521
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)hexan-1-one
SMILESCCCCCC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C13H17FO2/c1-3-4-5-6-12(15)11-9-10(14)7-8-13(11)16-2/h7-9H,3-6H2,1-2H3
InChIKeyPITTZRGDXFQDKO-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-2-methoxyphenyl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)hexan-1-one?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)hexan-1-one (CID 43161521) is 1-(5-fluoro-2-methoxyphenyl)hexan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)hexan-1-one?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)hexan-1-one is CCCCCC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)hexan-1-one?
The InChIKey is PITTZRGDXFQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-3-4-5-6-12(15)11-9-10(14)7-8-13(11)16-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)hexan-1-one?
1-(5-fluoro-2-methoxyphenyl)hexan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)hexan-1-one is sourced from PubChem (CID 43161521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).