5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate

C13H8O6-2 — CID 5147336

IUPAC5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(OCc2ccc(C(=O)[O-])o2)cc1
InChIInChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)18-7-10-5-6-11(19-10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)/p-2
InChIKeyLFTLWROQIOSFLO-UHFFFAOYSA-L
MW260.20 g/mol
LogP-0.41
Rot. Bonds5

About 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate

5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate (PubChem CID 5147336) has the molecular formula C13H8O6-2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
PubChem CID5147336
Molecular FormulaC13H8O6-2
Molecular Weight260.20 g/mol
Exact Mass260.03
IUPAC Name5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(OCc2ccc(C(=O)[O-])o2)cc1
InChIInChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)18-7-10-5-6-11(19-10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)/p-2
InChIKeyLFTLWROQIOSFLO-UHFFFAOYSA-L
XLogP-0.41
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
4-[(4-propylphenoxy)methyl]benzoate
CID 2336592
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-[(2,4,6-tribromophenoxy)methyl]furan-2-carboxylate
CID 7138860
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate (CID 5147336) is 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate is O=C([O-])c1ccc(OCc2ccc(C(=O)[O-])o2)cc1.
What is the InChIKey of 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate?
The InChIKey is LFTLWROQIOSFLO-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10O6/c14-12(15)8-1-3-9(4-2-8)18-7-10-5-6-11(19-10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)/p-2.
What are the key properties of 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate?
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate has a molecular weight of 260.20 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 5147336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).