3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid

C13H14O5 — CID 43120658

IUPAC3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCCOCc1c(C(=O)O)oc2ccccc12
InChIInChI=1S/C13H14O5/c1-16-6-7-17-8-10-9-4-2-3-5-11(9)18-12(10)13(14)15/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyJOVFSGSZJKOGRS-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.29
Rot. Bonds6

About 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid

3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 43120658) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
PubChem CID43120658
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCCOCc1c(C(=O)O)oc2ccccc12
InChIInChI=1S/C13H14O5/c1-16-6-7-17-8-10-9-4-2-3-5-11(9)18-12(10)13(14)15/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyJOVFSGSZJKOGRS-UHFFFAOYSA-N
XLogP2.29
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120654
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(oxan-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 62381602
3-(piperidin-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 83211376
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87108504
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
3-(2-methoxyethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 43332567
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87641117

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid (CID 43120658) is 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid is COCCOCc1c(C(=O)O)oc2ccccc12.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is JOVFSGSZJKOGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-16-6-7-17-8-10-9-4-2-3-5-11(9)18-12(10)13(14)15/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid?
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 43120658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).