5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid

C14H14O5 — CID 756954

IUPAC5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCCOc1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H14O5/c1-2-17-10-3-5-11(6-4-10)18-9-12-7-8-13(19-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyBMAHKRXMGOCFFI-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.96
Rot. Bonds6

About 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid

5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 756954) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid
PubChem CID756954
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCCOc1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H14O5/c1-2-17-10-3-5-11(6-4-10)18-9-12-7-8-13(19-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyBMAHKRXMGOCFFI-UHFFFAOYSA-N
XLogP2.96
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid (CID 756954) is 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid is CCOc1ccc(OCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is BMAHKRXMGOCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-2-17-10-3-5-11(6-4-10)18-9-12-7-8-13(19-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid?
5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 756954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).