3-(ethoxymethyl)furan-2-carboxylic acid

C8H10O4 — CID 43153128

IUPAC3-(ethoxymethyl)furan-2-carboxylic acid
SMILESCCOCc1ccoc1C(=O)O
InChIInChI=1S/C8H10O4/c1-2-11-5-6-3-4-12-7(6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKeyXORDVVDOMPJKBH-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.51
Rot. Bonds4

About 3-(ethoxymethyl)furan-2-carboxylic acid

3-(ethoxymethyl)furan-2-carboxylic acid (PubChem CID 43153128) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-(ethoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(ethoxymethyl)furan-2-carboxylic acid
PubChem CID43153128
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-(ethoxymethyl)furan-2-carboxylic acid
SMILESCCOCc1ccoc1C(=O)O
InChIInChI=1S/C8H10O4/c1-2-11-5-6-3-4-12-7(6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKeyXORDVVDOMPJKBH-UHFFFAOYSA-N
XLogP1.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
3-(but-2-enoxymethyl)furan-2-carboxylic acid
CID 76938194
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146
3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
CID 63698086
3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid
CID 18414987
3-[3-[3-(2-carboxyfuran-3-yl)propoxy]propyl]furan-2-carboxylic acid
CID 173422535
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
CID 103261384
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
3-(cyclohexyloxymethyl)furan-2-carboxylic acid
CID 43153123
3-[(3,4-difluorophenoxy)methyl]furan-2-carboxylic acid
CID 43345521
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(ethoxymethyl)furan-2-carboxylic acid (CID 43153128) is 3-(ethoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(ethoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(ethoxymethyl)furan-2-carboxylic acid is CCOCc1ccoc1C(=O)O.
What is the InChIKey of 3-(ethoxymethyl)furan-2-carboxylic acid?
The InChIKey is XORDVVDOMPJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-11-5-6-3-4-12-7(6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10).
What are the key properties of 3-(ethoxymethyl)furan-2-carboxylic acid?
3-(ethoxymethyl)furan-2-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).