2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid

C13H10Br2O5 — CID 79416307

IUPAC2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCOc1cc(Br)c(OCc2occc2C(=O)O)cc1Br
InChIInChI=1S/C13H10Br2O5/c1-18-10-4-9(15)11(5-8(10)14)20-6-12-7(13(16)17)2-3-19-12/h2-5H,6H2,1H3,(H,16,17)
InChIKeyHTTUIMFKFMDSCT-UHFFFAOYSA-N
MW406.03 g/mol
LogP4.09
Rot. Bonds5

About 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid

2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 79416307) has the molecular formula C13H10Br2O5 and a molecular weight of 406.03 g/mol. Its IUPAC name is 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid
PubChem CID79416307
Molecular FormulaC13H10Br2O5
Molecular Weight406.03 g/mol
Exact Mass403.89
IUPAC Name2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCOc1cc(Br)c(OCc2occc2C(=O)O)cc1Br
InChIInChI=1S/C13H10Br2O5/c1-18-10-4-9(15)11(5-8(10)14)20-6-12-7(13(16)17)2-3-19-12/h2-5H,6H2,1H3,(H,16,17)
InChIKeyHTTUIMFKFMDSCT-UHFFFAOYSA-N
XLogP4.09
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.03
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carboxylic acid
CID 43394473
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-carboxylic acid
CID 115401481
2-[(3,4,5-trimethoxyphenyl)methyl]furan-3-carboxylic acid
CID 10085700
2-[(5-bromo-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 103247626
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973672
2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43477473
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629806
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid (CID 79416307) is 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid is COc1cc(Br)c(OCc2occc2C(=O)O)cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is HTTUIMFKFMDSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O5/c1-18-10-4-9(15)11(5-8(10)14)20-6-12-7(13(16)17)2-3-19-12/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 406.03 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 79416307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).