2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid

C15H12F2O4 — CID 107675360

IUPAC2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O4/c1-20-10-3-2-9(13(16)6-10)8-21-11-4-5-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H,18,19)
InChIKeyQSHIQMLEAJTXKZ-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.25
Rot. Bonds5

About 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid

2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (PubChem CID 107675360) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
PubChem CID107675360
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O4/c1-20-10-3-2-9(13(16)6-10)8-21-11-4-5-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H,18,19)
InChIKeyQSHIQMLEAJTXKZ-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-fluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol
CID 158646614
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
CID 102876837
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid (CID 107675360) is 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is COc1ccc(COc2ccc(C(=O)O)c(F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is QSHIQMLEAJTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-20-10-3-2-9(13(16)6-10)8-21-11-4-5-12(15(18)19)14(17)7-11/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid?
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 294.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107675360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).