2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid

C15H18O5 — CID 62273945

IUPAC2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESCC(C)OCCOCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H18O5/c1-10(2)19-8-7-18-9-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyFNDVUGGRWBKNKC-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.07
Rot. Bonds7

About 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid

2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 62273945) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
PubChem CID62273945
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESCC(C)OCCOCc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C15H18O5/c1-10(2)19-8-7-18-9-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyFNDVUGGRWBKNKC-UHFFFAOYSA-N
XLogP3.07
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62275297
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 83209336
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
2-(propan-2-ylsulfonylmethyl)-1-benzofuran-3-carboxylic acid
CID 55054104
2-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103245339
2-(2-methylbutylsulfinylmethyl)-1-benzofuran-3-carboxylic acid
CID 107753324
2-[[2-methoxyethyl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273605
2-[(4-methylpentan-2-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103237666
2-[(2,3-dimethylbutylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103254414
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-[(1-methylsulfanylpropan-2-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103266113
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62275310

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid (CID 62273945) is 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid is CC(C)OCCOCc1oc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is FNDVUGGRWBKNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-10(2)19-8-7-18-9-13-14(15(16)17)11-5-3-4-6-12(11)20-13/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid?
2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 62273945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).