5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid

C14H10ClFO3 — CID 53211125

IUPAC5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
SMILESCOc1ccc(Cl)cc1-c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-13-5-3-9(15)7-10(13)8-2-4-12(16)11(6-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyMEVZGTJPMWWDBD-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid

5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid (PubChem CID 53211125) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
PubChem CID53211125
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
SMILESCOc1ccc(Cl)cc1-c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-13-5-3-9(15)7-10(13)8-2-4-12(16)11(6-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyMEVZGTJPMWWDBD-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-amino-5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223935
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid (CID 53211125) is 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid is COc1ccc(Cl)cc1-c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid?
The InChIKey is MEVZGTJPMWWDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-13-5-3-9(15)7-10(13)8-2-4-12(16)11(6-8)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid?
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid has a molecular weight of 280.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).