5-(phenoxymethyl)furan-2-carboxylic acid

C12H10O4 — CID 580491

IUPAC5-(phenoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKeyKPSLIMYRDNBEGK-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.56
Rot. Bonds4

About 5-(phenoxymethyl)furan-2-carboxylic acid

5-(phenoxymethyl)furan-2-carboxylic acid (PubChem CID 580491) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(phenoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(phenoxymethyl)furan-2-carboxylic acid
PubChem CID580491
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name5-(phenoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKeyKPSLIMYRDNBEGK-UHFFFAOYSA-N
XLogP2.56
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(phenoxymethyl)furan-2-carboxylic acid (CID 580491) is 5-(phenoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(phenoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(phenoxymethyl)furan-2-carboxylic acid is O=C(O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 5-(phenoxymethyl)furan-2-carboxylic acid?
The InChIKey is KPSLIMYRDNBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14).
What are the key properties of 5-(phenoxymethyl)furan-2-carboxylic acid?
5-(phenoxymethyl)furan-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 580491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).