4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid

C15H12BrFO4 — CID 11617344

IUPAC4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFO4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJOWPXHDPJPAXAN-UHFFFAOYSA-N
MW355.16 g/mol
LogP3.87
Rot. Bonds5

About 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid

4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid (PubChem CID 11617344) has the molecular formula C15H12BrFO4 and a molecular weight of 355.16 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
PubChem CID11617344
Molecular FormulaC15H12BrFO4
Molecular Weight355.16 g/mol
Exact Mass353.99
IUPAC Name4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFO4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJOWPXHDPJPAXAN-UHFFFAOYSA-N
XLogP3.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[(4-bromo-2-fluorophenyl)methoxy]benzoic acid
CID 43438829
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
2-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43471698
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
4-[(4-bromo-2-methylphenoxy)methyl]-3-methylbenzoic acid
CID 114485775
3-[(3-bromo-4-fluorophenoxy)methyl]-4-methoxybenzoic acid
CID 83232551
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid (CID 11617344) is 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1OCc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
The InChIKey is JOWPXHDPJPAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid?
4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid has a molecular weight of 355.16 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 11617344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).