4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate

C17H15O5- — CID 4745695

IUPAC4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
SMILESCCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H16O5/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-10H,2,11H2,1H3,(H,19,20)/p-1
InChIKeyZGARMGZKPDRTSV-UHFFFAOYSA-M
MW299.30 g/mol
LogP1.84
Rot. Bonds7

About 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate

4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate (PubChem CID 4745695) has the molecular formula C17H15O5- and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate.

Molecular Properties

Compound Name4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
PubChem CID4745695
Molecular FormulaC17H15O5-
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
SMILESCCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H16O5/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-10H,2,11H2,1H3,(H,19,20)/p-1
InChIKeyZGARMGZKPDRTSV-UHFFFAOYSA-M
XLogP1.84
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
4-[(2-bromo-4-formylphenoxy)methyl]benzoate
CID 4745765
4-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoate
CID 7371539
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
4-[[4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoate
CID 2203320
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoate
CID 3628131
(2-ethoxy-4-formylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013422
4-[[4-[(E)-2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid
CID 124553492
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate?
The IUPAC name of 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate (CID 4745695) is 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate.
What is the SMILES notation for 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate?
The canonical SMILES for 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate is CCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate?
The InChIKey is ZGARMGZKPDRTSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16O5/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-10H,2,11H2,1H3,(H,19,20)/p-1.
What are the key properties of 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate?
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate has a molecular weight of 299.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate is sourced from PubChem (CID 4745695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).