5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid

C14H14O4 — CID 55055885

IUPAC5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
SMILESCCc1ccccc1OCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14O4/c1-2-10-5-3-4-6-13(10)18-9-12-7-11(8-17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyOLJWHGITDGMHRE-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.12
Rot. Bonds5

About 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid

5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 55055885) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
PubChem CID55055885
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
SMILESCCc1ccccc1OCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14O4/c1-2-10-5-3-4-6-13(10)18-9-12-7-11(8-17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyOLJWHGITDGMHRE-UHFFFAOYSA-N
XLogP3.12
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate
CID 7446735
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(2-methoxy-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 62267266
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid (CID 55055885) is 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid is CCc1ccccc1OCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is OLJWHGITDGMHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-2-10-5-3-4-6-13(10)18-9-12-7-11(8-17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid?
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55055885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).