2-[(5-bromofuran-2-yl)methoxy]benzoic acid

C12H9BrO4 — CID 43143148

IUPAC2-[(5-bromofuran-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H9BrO4/c13-11-6-5-8(17-11)7-16-10-4-2-1-3-9(10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyYQFFIZQNDIVIKM-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.32
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methoxy]benzoic acid

2-[(5-bromofuran-2-yl)methoxy]benzoic acid (PubChem CID 43143148) has the molecular formula C12H9BrO4 and a molecular weight of 297.10 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methoxy]benzoic acid
PubChem CID43143148
Molecular FormulaC12H9BrO4
Molecular Weight297.10 g/mol
Exact Mass295.97
IUPAC Name2-[(5-bromofuran-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H9BrO4/c13-11-6-5-8(17-11)7-16-10-4-2-1-3-9(10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyYQFFIZQNDIVIKM-UHFFFAOYSA-N
XLogP3.32
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142
3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
CID 43143276
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]benzoic acid (CID 43143148) is 2-[(5-bromofuran-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methoxy]benzoic acid?
The InChIKey is YQFFIZQNDIVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO4/c13-11-6-5-8(17-11)7-16-10-4-2-1-3-9(10)12(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-[(5-bromofuran-2-yl)methoxy]benzoic acid?
2-[(5-bromofuran-2-yl)methoxy]benzoic acid has a molecular weight of 297.10 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 43143148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).