5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid

C14H14O5 — CID 62268499

IUPAC5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCCOc1ccc(OCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C14H14O5/c1-2-17-11-3-5-12(6-4-11)19-9-13-7-10(8-18-13)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyQPFDWXCJOARZKT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.96
Rot. Bonds6

About 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid

5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 62268499) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
PubChem CID62268499
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCCOc1ccc(OCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C14H14O5/c1-2-17-11-3-5-12(6-4-11)19-9-13-7-10(8-18-13)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyQPFDWXCJOARZKT-UHFFFAOYSA-N
XLogP2.96
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.96
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-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
CID 62269033
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
5-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 103588395
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid (CID 62268499) is 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid is CCOc1ccc(OCc2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is QPFDWXCJOARZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-2-17-11-3-5-12(6-4-11)19-9-13-7-10(8-18-13)14(15)16/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid?
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62268499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).