5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid

C12H8Cl2O4 — CID 55055887

IUPAC5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2O4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyAAWXOISUDZCHBY-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.86
Rot. Bonds4

About 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid

5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 55055887) has the molecular formula C12H8Cl2O4 and a molecular weight of 287.10 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
PubChem CID55055887
Molecular FormulaC12H8Cl2O4
Molecular Weight287.10 g/mol
Exact Mass285.98
IUPAC Name5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2O4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyAAWXOISUDZCHBY-UHFFFAOYSA-N
XLogP3.86
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322366
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 103588395
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
CID 62269033
5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63379886

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid (CID 55055887) is 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1coc(COc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is AAWXOISUDZCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid?
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 287.10 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55055887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).