5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid

C15H16O5 — CID 62269033

IUPAC5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
SMILESCOCCc1ccc(OCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C15H16O5/c1-18-7-6-11-2-4-13(5-3-11)20-10-14-8-12(9-19-14)15(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyDTAYDXWVQXFDIE-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.75
Rot. Bonds7

About 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid

5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid (PubChem CID 62269033) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
PubChem CID62269033
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
SMILESCOCCc1ccc(OCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C15H16O5/c1-18-7-6-11-2-4-13(5-3-11)20-10-14-8-12(9-19-14)15(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyDTAYDXWVQXFDIE-UHFFFAOYSA-N
XLogP2.75
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
5-[[4-(2-methoxyethyl)phenoxy]methyl]thiophene-2-carbohydrazide
CID 63575058
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
CID 62268855

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid (CID 62269033) is 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid is COCCc1ccc(OCc2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid?
The InChIKey is DTAYDXWVQXFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-7-6-11-2-4-13(5-3-11)20-10-14-8-12(9-19-14)15(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,16,17).
What are the key properties of 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid?
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).