2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid

C13H10O6 — CID 10563400

IUPAC2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
SMILESCOC(=O)c1ccc(Oc2ccccc2C(=O)O)o1
InChIInChI=1S/C13H10O6/c1-17-13(16)10-6-7-11(19-10)18-9-5-3-2-4-8(9)12(14)15/h2-7H,1H3,(H,14,15)
InChIKeyVEBNAFLBSNWOML-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.56
Rot. Bonds4

About 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid

2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid (PubChem CID 10563400) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
PubChem CID10563400
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
SMILESCOC(=O)c1ccc(Oc2ccccc2C(=O)O)o1
InChIInChI=1S/C13H10O6/c1-17-13(16)10-6-7-11(19-10)18-9-5-3-2-4-8(9)12(14)15/h2-7H,1H3,(H,14,15)
InChIKeyVEBNAFLBSNWOML-UHFFFAOYSA-N
XLogP2.56
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
CID 10665664
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
methyl 5-(2-azidophenoxy)furan-2-carboxylate
CID 12748629
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
CID 12756460
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate
CID 143243304
methyl 5-(2,4-dibromo-5-tert-butylphenoxy)furan-2-carboxylate
CID 142192083
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid?
The IUPAC name of 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid (CID 10563400) is 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid?
The canonical SMILES for 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid is COC(=O)c1ccc(Oc2ccccc2C(=O)O)o1.
What is the InChIKey of 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid?
The InChIKey is VEBNAFLBSNWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c1-17-13(16)10-6-7-11(19-10)18-9-5-3-2-4-8(9)12(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid?
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid has a molecular weight of 262.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid is sourced from PubChem (CID 10563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).