2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid

C15H12F2O3 — CID 107013949

IUPAC2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(F)cc1COc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H12F2O3/c1-9-5-6-11(16)7-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJXBLGQMYXNCDIX-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid

2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid (PubChem CID 107013949) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
PubChem CID107013949
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(F)cc1COc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H12F2O3/c1-9-5-6-11(16)7-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJXBLGQMYXNCDIX-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid (CID 107013949) is 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid is Cc1ccc(F)cc1COc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
The InChIKey is JXBLGQMYXNCDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-9-5-6-11(16)7-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid?
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107013949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).