4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid

C14H9F3O3 — CID 61025742

IUPAC4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F3O3/c1-20-12-3-2-7(14(18)19)4-9(12)13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,18,19)
InChIKeyPPQYJKWKXNWIIR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.48
Rot. Bonds3

About 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid

4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid (PubChem CID 61025742) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
PubChem CID61025742
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F3O3/c1-20-12-3-2-7(14(18)19)4-9(12)13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,18,19)
InChIKeyPPQYJKWKXNWIIR-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
3,4-dimethoxybenzoic acid;methanol
CID 144580050

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid (CID 61025742) is 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid is COc1ccc(C(=O)O)cc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid?
The InChIKey is PPQYJKWKXNWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c1-20-12-3-2-7(14(18)19)4-9(12)13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,18,19).
What are the key properties of 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid?
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid has a molecular weight of 282.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid is sourced from PubChem (CID 61025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).