5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid

C15H16O5 — CID 22680826

IUPAC5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
SMILESCCOc1ccc(OC(C)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O5/c1-3-18-11-4-6-12(7-5-11)19-10(2)13-8-9-14(20-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyLPWSMDYSFLBORH-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.52
Rot. Bonds6

About 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid

5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid (PubChem CID 22680826) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
PubChem CID22680826
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
SMILESCCOc1ccc(OC(C)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O5/c1-3-18-11-4-6-12(7-5-11)19-10(2)13-8-9-14(20-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyLPWSMDYSFLBORH-UHFFFAOYSA-N
XLogP3.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-[1-(4-ethoxyanilino)ethyl]furan-2-carboxylic acid
CID 103231754
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
5-[1-(2-bromo-4-methoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 20984610
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
5-[1-(2-tert-butyl-5-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 20985835
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid (CID 22680826) is 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid is CCOc1ccc(OC(C)c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid?
The InChIKey is LPWSMDYSFLBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-18-11-4-6-12(7-5-11)19-10(2)13-8-9-14(20-13)15(16)17/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid?
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 22680826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).