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

C15H18O5 — CID 63686877

IUPAC2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESCCCOCCOCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H18O5/c1-2-7-18-8-9-19-10-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyCACCVAMSJXQRRD-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.07
Rot. Bonds8

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

2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 63686877) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
PubChem CID63686877
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESCCCOCCOCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H18O5/c1-2-7-18-8-9-19-10-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyCACCVAMSJXQRRD-UHFFFAOYSA-N
XLogP3.07
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.07
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

2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62273945
2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62275297
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 83209336
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-[[2-methoxyethyl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273605
3-(2-ethoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120654
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106238438
2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106305518
2-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-1-benzofuran-3-carboxylic acid
CID 62274964
2-(propan-2-ylsulfonylmethyl)-1-benzofuran-3-carboxylic acid
CID 55054104
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid (CID 63686877) is 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid is CCCOCCOCc1oc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is CACCVAMSJXQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-2-7-18-8-9-19-10-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 63686877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).