5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid

C12H8Cl2O4 — CID 725870

IUPAC5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H8Cl2O4/c13-7-1-3-9(14)11(5-7)17-6-8-2-4-10(18-8)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyFVABYPFRCFVPJJ-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.86
Rot. Bonds4

About 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid

5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid (PubChem CID 725870) has the molecular formula C12H8Cl2O4 and a molecular weight of 287.10 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
PubChem CID725870
Molecular FormulaC12H8Cl2O4
Molecular Weight287.10 g/mol
Exact Mass285.98
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H8Cl2O4/c13-7-1-3-9(14)11(5-7)17-6-8-2-4-10(18-8)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyFVABYPFRCFVPJJ-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

methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 919086
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
methyl 3-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 1009164
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
CID 4748157

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid (CID 725870) is 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is FVABYPFRCFVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O4/c13-7-1-3-9(14)11(5-7)17-6-8-2-4-10(18-8)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid?
5-[(2,5-dichlorophenoxy)methyl]furan-2-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-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).