4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid

C13H14O5 — CID 102537138

IUPAC4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid
SMILESCCOCCOc1cc(C(=O)O)cc2occc12
InChIInChI=1S/C13H14O5/c1-2-16-5-6-18-12-8-9(13(14)15)7-11-10(12)3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyVNVRAQVMBLLMEP-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.55
Rot. Bonds6

About 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid

4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid (PubChem CID 102537138) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid
PubChem CID102537138
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid
SMILESCCOCCOc1cc(C(=O)O)cc2occc12
InChIInChI=1S/C13H14O5/c1-2-16-5-6-18-12-8-9(13(14)15)7-11-10(12)3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyVNVRAQVMBLLMEP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
CID 69357116
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
4-propoxy-1-benzofuran-6-amine
CID 102537656
(4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956743
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
4-(3-ethoxypropoxy)-3-methoxybenzoic acid
CID 65175954
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
1-[4-(2-ethoxyethoxy)-6-hydroxy-7-methoxy-1-benzofuran-5-yl]ethanone
CID 154183817
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
S-[2-[4-(ethoxymethoxy)phenyl]ethyl] (E)-3-[4-(ethoxymethoxy)-1-benzofuran-6-yl]prop-2-enethioate
CID 167527726

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid?
The IUPAC name of 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid (CID 102537138) is 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid is CCOCCOc1cc(C(=O)O)cc2occc12.
What is the InChIKey of 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid?
The InChIKey is VNVRAQVMBLLMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-2-16-5-6-18-12-8-9(13(14)15)7-11-10(12)3-4-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid?
4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 102537138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).