2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid

C17H17FO4 — CID 82136686

IUPAC2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
SMILESCOc1ccccc1OCCC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C17H17FO4/c1-21-15-7-2-3-8-16(15)22-10-9-14(17(19)20)12-5-4-6-13(18)11-12/h2-8,11,14H,9-10H2,1H3,(H,19,20)
InChIKeyNMXXXVGJGIDXPP-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.47
Rot. Bonds7

About 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid

2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid (PubChem CID 82136686) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
PubChem CID82136686
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
SMILESCOc1ccccc1OCCC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C17H17FO4/c1-21-15-7-2-3-8-16(15)22-10-9-14(17(19)20)12-5-4-6-13(18)11-12/h2-8,11,14H,9-10H2,1H3,(H,19,20)
InChIKeyNMXXXVGJGIDXPP-UHFFFAOYSA-N
XLogP3.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic 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

2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79440635
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845245
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid (CID 82136686) is 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid is COc1ccccc1OCCC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid?
The InChIKey is NMXXXVGJGIDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-21-15-7-2-3-8-16(15)22-10-9-14(17(19)20)12-5-4-6-13(18)11-12/h2-8,11,14H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid?
2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid has a molecular weight of 304.32 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 82136686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).