ethyl 2-(4-formyl-2-methoxyphenoxy)acetate

C12H14O5 — CID 968872

IUPACethyl 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3
InChIKeySVYWLZTVBMJCGG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-(4-formyl-2-methoxyphenoxy)acetate

ethyl 2-(4-formyl-2-methoxyphenoxy)acetate (PubChem CID 968872) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(4-formyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-formyl-2-methoxyphenoxy)acetate
PubChem CID968872
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3
InChIKeySVYWLZTVBMJCGG-UHFFFAOYSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.45
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

methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
ethyl 2-[[2-[2-(4-formyl-2-methoxyphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7753578
ethyl 2-[2-(4-formyl-2-methoxyphenoxy)ethylsulfanyl]acetate
CID 2184151
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl (Z)-2-cyano-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 10496860
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753590
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753487
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753509
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?
The IUPAC name of ethyl 2-(4-formyl-2-methoxyphenoxy)acetate (CID 968872) is ethyl 2-(4-formyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-formyl-2-methoxyphenoxy)acetate is CCOC(=O)COc1ccc(C=O)cc1OC.
What is the InChIKey of ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?
The InChIKey is SVYWLZTVBMJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-formyl-2-methoxyphenoxy)acetate?
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate has a molecular weight of 238.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-formyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).