5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid

C14H17FO4 — CID 55157298

IUPAC5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CC(C)(C)CC(=O)O)c(F)c1
InChIInChI=1S/C14H17FO4/c1-14(2,8-13(17)18)7-12(16)10-5-4-9(19-3)6-11(10)15/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyKUAAEAUCKOWIJH-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.91
Rot. Bonds6

About 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid

5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55157298) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55157298
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CC(C)(C)CC(=O)O)c(F)c1
InChIInChI=1S/C14H17FO4/c1-14(2,8-13(17)18)7-12(16)10-5-4-9(19-3)6-11(10)15/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyKUAAEAUCKOWIJH-UHFFFAOYSA-N
XLogP2.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid 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

5-(2-bromo-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 62931067
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-amino-1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 103397216
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid (CID 55157298) is 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid is COc1ccc(C(=O)CC(C)(C)CC(=O)O)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is KUAAEAUCKOWIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-14(2,8-13(17)18)7-12(16)10-5-4-9(19-3)6-11(10)15/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid?
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 268.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55157298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).