2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid

C14H10ClFO3 — CID 53211241

IUPAC2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2C(=O)O)cc1Cl
InChIInChI=1S/C14H10ClFO3/c1-19-13-5-2-8(6-12(13)15)10-4-3-9(16)7-11(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyRMQBWTMAORIXLS-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid

2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid (PubChem CID 53211241) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
PubChem CID53211241
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2C(=O)O)cc1Cl
InChIInChI=1S/C14H10ClFO3/c1-19-13-5-2-8(6-12(13)15)10-4-3-9(16)7-11(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyRMQBWTMAORIXLS-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

2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid (CID 53211241) is 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid is COc1ccc(-c2ccc(F)cc2C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid?
The InChIKey is RMQBWTMAORIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-13-5-2-8(6-12(13)15)10-4-3-9(16)7-11(10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid?
2-(3-chloro-4-methoxyphenyl)-5-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 2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 53211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).