2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid

C16H15FO4 — CID 176513629

IUPAC2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(F)c(-c2cc(CC(=O)O)ccc2OC)c1
InChIInChI=1S/C16H15FO4/c1-20-11-4-5-14(17)12(9-11)13-7-10(8-16(18)19)3-6-15(13)21-2/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyADRKTBMXMGUBCU-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.14
Rot. Bonds5

About 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid

2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid (PubChem CID 176513629) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
PubChem CID176513629
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(F)c(-c2cc(CC(=O)O)ccc2OC)c1
InChIInChI=1S/C16H15FO4/c1-20-11-4-5-14(17)12(9-11)13-7-10(8-16(18)19)3-6-15(13)21-2/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyADRKTBMXMGUBCU-UHFFFAOYSA-N
XLogP3.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic 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-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
2-[3-[2-[[ethyl-[(4-fluorophenyl)methoxycarbonyl]amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
CID 58148974
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
CID 54672888
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid (CID 176513629) is 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid is COc1ccc(F)c(-c2cc(CC(=O)O)ccc2OC)c1.
What is the InChIKey of 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid?
The InChIKey is ADRKTBMXMGUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-11-4-5-14(17)12(9-11)13-7-10(8-16(18)19)3-6-15(13)21-2/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid?
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 176513629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).