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

C15H10ClFO4 — CID 53227913

IUPAC4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H10ClFO4/c1-21-15(20)8-2-4-10(13(17)6-8)12-7-9(16)3-5-11(12)14(18)19/h2-7H,1H3,(H,18,19)
InChIKeyUKBVHDWZSDUFFH-UHFFFAOYSA-N
MW308.69 g/mol
LogP3.63
Rot. Bonds3

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

4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid (PubChem CID 53227913) has the molecular formula C15H10ClFO4 and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
PubChem CID53227913
Molecular FormulaC15H10ClFO4
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)O)c(F)c1
InChIInChI=1S/C15H10ClFO4/c1-21-15(20)8-2-4-10(13(17)6-8)12-7-9(16)3-5-11(12)14(18)19/h2-7H,1H3,(H,18,19)
InChIKeyUKBVHDWZSDUFFH-UHFFFAOYSA-N
XLogP3.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227906
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
methyl 4-(4-chloro-2-fluorophenyl)-6-methylpyridine-3-carboxylate
CID 86695958
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521
ethane;4-methoxycarbonylphthalic acid
CID 143938031
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid (CID 53227913) is 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid is COC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)O)c(F)c1.
What is the InChIKey of 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
The InChIKey is UKBVHDWZSDUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO4/c1-21-15(20)8-2-4-10(13(17)6-8)12-7-9(16)3-5-11(12)14(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid?
4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid has a molecular weight of 308.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid is sourced from PubChem (CID 53227913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).