4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid

C15H11FO4 — CID 53218416

IUPAC4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(F)c1
InChIInChI=1S/C15H11FO4/c1-20-15(19)11-6-7-12(13(16)8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyJHHPFZHECHBZHD-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid

4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid (PubChem CID 53218416) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
PubChem CID53218416
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(F)c1
InChIInChI=1S/C15H11FO4/c1-20-15(19)11-6-7-12(13(16)8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyJHHPFZHECHBZHD-UHFFFAOYSA-N
XLogP2.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
3-fluoro-4-(1-methylpyrazol-4-yl)benzoic acid;methyl 3-fluoro-4-(1-methylpyrazol-4-yl)benzoate
CID 162091971
methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221034
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53227913
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934
3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227906
methyl 4-[2-fluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331656

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The IUPAC name of 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid (CID 53218416) is 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid.
What is the SMILES notation for 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The canonical SMILES for 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid is COC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The InChIKey is JHHPFZHECHBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c1-20-15(19)11-6-7-12(13(16)8-11)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid is sourced from PubChem (CID 53218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).