1-(2-fluoro-4-methylphenyl)octan-1-one

C15H21FO — CID 114966540

IUPAC1-(2-fluoro-4-methylphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H21FO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)11-14(13)16/h9-11H,3-8H2,1-2H3
InChIKeyXVCZIFMOVHEGFI-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.68
Rot. Bonds7

About 1-(2-fluoro-4-methylphenyl)octan-1-one

1-(2-fluoro-4-methylphenyl)octan-1-one (PubChem CID 114966540) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)octan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)octan-1-one
PubChem CID114966540
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(2-fluoro-4-methylphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H21FO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)11-14(13)16/h9-11H,3-8H2,1-2H3
InChIKeyXVCZIFMOVHEGFI-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-4-methylphenyl)octan-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-fluoro-5-methylphenyl)decan-1-one
CID 114966456
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
5-bromo-1-(2-fluoro-4-methylphenyl)pentan-1-one
CID 146010026
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)octan-1-one?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)octan-1-one (CID 114966540) is 1-(2-fluoro-4-methylphenyl)octan-1-one.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)octan-1-one?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)octan-1-one is CCCCCCCC(=O)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)octan-1-one?
The InChIKey is XVCZIFMOVHEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)11-14(13)16/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)octan-1-one?
1-(2-fluoro-4-methylphenyl)octan-1-one has a molecular weight of 236.33 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)octan-1-one is sourced from PubChem (CID 114966540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).