3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid

C16H13FO5 — CID 53227906

IUPAC3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)c(F)c1
InChIInChI=1S/C16H13FO5/c1-21-14-11(4-3-5-12(14)15(18)19)10-7-6-9(8-13(10)17)16(20)22-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJGJJXJJRSNMBAZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.99
Rot. Bonds4

About 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid

3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid (PubChem CID 53227906) has the molecular formula C16H13FO5 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
PubChem CID53227906
Molecular FormulaC16H13FO5
Molecular Weight304.27 g/mol
Exact Mass304.07
IUPAC Name3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)c(F)c1
InChIInChI=1S/C16H13FO5/c1-21-14-11(4-3-5-12(14)15(18)19)10-7-6-9(8-13(10)17)16(20)22-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJGJJXJJRSNMBAZ-UHFFFAOYSA-N
XLogP2.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluoro-4-methoxycarbonylphenyl)-2-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-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
CID 53227127
4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53227913
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
3-(3-cyano-2-fluorophenyl)-2-methoxybenzoic acid
CID 53226109
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
4-[5-(dimethylcarbamoyl)naphthalen-1-yl]-3-fluorobenzoic acid
CID 172667831
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
3-[6-(3-carboxy-2-methoxyphenyl)dibenzofuran-4-yl]-2-methoxybenzoic acid
CID 154983457

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid?
The IUPAC name of 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid (CID 53227906) is 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid is COC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid?
The InChIKey is JGJJXJJRSNMBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO5/c1-21-14-11(4-3-5-12(14)15(18)19)10-7-6-9(8-13(10)17)16(20)22-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid?
3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid has a molecular weight of 304.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53227906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).