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

C17H16O4 — CID 87464157

IUPACethyl 4-[(2-formylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C17H16O4/c1-2-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)11-18/h3-11H,2,12H2,1H3
InChIKeyJGVIJWDHUGSETB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.25
Rot. Bonds6

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

ethyl 4-[(2-formylphenoxy)methyl]benzoate (PubChem CID 87464157) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 4-[(2-formylphenoxy)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-formylphenoxy)methyl]benzoate
PubChem CID87464157
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameethyl 4-[(2-formylphenoxy)methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C17H16O4/c1-2-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)11-18/h3-11H,2,12H2,1H3
InChIKeyJGVIJWDHUGSETB-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
ethyl (2-formylphenoxy)methyl carbonate
CID 87319171
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
benzyl 4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207652

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-formylphenoxy)methyl]benzoate?
The IUPAC name of ethyl 4-[(2-formylphenoxy)methyl]benzoate (CID 87464157) is ethyl 4-[(2-formylphenoxy)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-formylphenoxy)methyl]benzoate?
The canonical SMILES for ethyl 4-[(2-formylphenoxy)methyl]benzoate is CCOC(=O)c1ccc(COc2ccccc2C=O)cc1.
What is the InChIKey of ethyl 4-[(2-formylphenoxy)methyl]benzoate?
The InChIKey is JGVIJWDHUGSETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)11-18/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 4-[(2-formylphenoxy)methyl]benzoate?
ethyl 4-[(2-formylphenoxy)methyl]benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-formylphenoxy)methyl]benzoate is sourced from PubChem (CID 87464157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).