2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid

C14H10BrFO3 — CID 24699873

IUPAC2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cc(F)ccc1Br
InChIInChI=1S/C14H10BrFO3/c15-12-6-5-10(16)7-9(12)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyAQPUNLNGWQVTSF-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.87
Rot. Bonds4

About 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid

2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid (PubChem CID 24699873) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
PubChem CID24699873
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cc(F)ccc1Br
InChIInChI=1S/C14H10BrFO3/c15-12-6-5-10(16)7-9(12)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyAQPUNLNGWQVTSF-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorobenzoic acid
CID 43217717

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid (CID 24699873) is 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid?
The InChIKey is AQPUNLNGWQVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c15-12-6-5-10(16)7-9(12)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid?
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid has a molecular weight of 325.13 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 24699873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).