5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one

C13H17FO2 — CID 142193890

IUPAC5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
SMILESCOc1cc(C)c(CCCC(C)=O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-7-13(16-3)12(14)8-11(9)6-4-5-10(2)15/h7-8H,4-6H2,1-3H3
InChIKeyASYJFXFYVLFBAE-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.05
Rot. Bonds5

About 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one

5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one (PubChem CID 142193890) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
PubChem CID142193890
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
SMILESCOc1cc(C)c(CCCC(C)=O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-7-13(16-3)12(14)8-11(9)6-4-5-10(2)15/h7-8H,4-6H2,1-3H3
InChIKeyASYJFXFYVLFBAE-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-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

6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
5-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-2-one
CID 83921023
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one?
The IUPAC name of 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one (CID 142193890) is 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one.
What is the SMILES notation for 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one?
The canonical SMILES for 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one is COc1cc(C)c(CCCC(C)=O)cc1F.
What is the InChIKey of 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one?
The InChIKey is ASYJFXFYVLFBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-7-13(16-3)12(14)8-11(9)6-4-5-10(2)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one?
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one has a molecular weight of 224.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one is sourced from PubChem (CID 142193890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).