2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid

C16H15FO4 — CID 114345678

IUPAC2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCc2ccc(F)cc2C)c(C(=O)O)c1
InChIInChI=1S/C16H15FO4/c1-10-7-12(17)4-3-11(10)9-21-15-6-5-13(20-2)8-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYXPJAJXGMSUODG-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.42
Rot. Bonds5

About 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid

2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid (PubChem CID 114345678) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
PubChem CID114345678
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCc2ccc(F)cc2C)c(C(=O)O)c1
InChIInChI=1S/C16H15FO4/c1-10-7-12(17)4-3-11(10)9-21-15-6-5-13(20-2)8-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyYXPJAJXGMSUODG-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic 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-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
2-butoxy-5-methoxybenzoic acid
CID 43213162
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid (CID 114345678) is 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid is COc1ccc(OCc2ccc(F)cc2C)c(C(=O)O)c1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid?
The InChIKey is YXPJAJXGMSUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-10-7-12(17)4-3-11(10)9-21-15-6-5-13(20-2)8-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid?
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 114345678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).