2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid

C15H13FO3 — CID 79511660

IUPAC2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
SMILESCc1ccc(C)c(Oc2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-9-6-7-10(2)13(8-9)19-12-5-3-4-11(16)14(12)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyLCRWUEQRPIRVNU-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.93
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid

2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid (PubChem CID 79511660) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
PubChem CID79511660
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
SMILESCc1ccc(C)c(Oc2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-9-6-7-10(2)13(8-9)19-12-5-3-4-11(16)14(12)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyLCRWUEQRPIRVNU-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanone
CID 61030529
2-fluoro-6-methylbenzoic acid
CID 13478132
2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid?
The IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid (CID 79511660) is 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid is Cc1ccc(C)c(Oc2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid?
The InChIKey is LCRWUEQRPIRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-6-7-10(2)13(8-9)19-12-5-3-4-11(16)14(12)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid?
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid is sourced from PubChem (CID 79511660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).