2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid

C14H10ClFO3 — CID 53226579

IUPAC2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10ClFO3/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyUFGMYLDVJQPRMM-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid

2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid (PubChem CID 53226579) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
PubChem CID53226579
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10ClFO3/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyUFGMYLDVJQPRMM-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-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-chloro-4-phenylbenzoic acid
CID 21487426
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223404
4-(4-fluoro-3-methoxyphenyl)benzoate
CID 86307174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid (CID 53226579) is 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid is COc1cc(-c2ccc(C(=O)O)c(Cl)c2)ccc1F.
What is the InChIKey of 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid?
The InChIKey is UFGMYLDVJQPRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid?
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic 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-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53226579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).