ethyl 2-(2-formyl-6-methylphenoxy)acetate

C12H14O4 — CID 57137176

IUPACethyl 2-(2-formyl-6-methylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cccc1C=O
InChIInChI=1S/C12H14O4/c1-3-15-11(14)8-16-12-9(2)5-4-6-10(12)7-13/h4-7H,3,8H2,1-2H3
InChIKeyFFZYTUKHCRPLMR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.75
Rot. Bonds5

About ethyl 2-(2-formyl-6-methylphenoxy)acetate

ethyl 2-(2-formyl-6-methylphenoxy)acetate (PubChem CID 57137176) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 2-(2-formyl-6-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-formyl-6-methylphenoxy)acetate
PubChem CID57137176
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Nameethyl 2-(2-formyl-6-methylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cccc1C=O
InChIInChI=1S/C12H14O4/c1-3-15-11(14)8-16-12-9(2)5-4-6-10(12)7-13/h4-7H,3,8H2,1-2H3
InChIKeyFFZYTUKHCRPLMR-UHFFFAOYSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.75
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

2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
CID 112611155
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
ethyl 2-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-formylphenoxy]acetate
CID 59515287
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetate
CID 15471713
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-formyl-6-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(2-formyl-6-methylphenoxy)acetate (CID 57137176) is ethyl 2-(2-formyl-6-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-formyl-6-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-formyl-6-methylphenoxy)acetate is CCOC(=O)COc1c(C)cccc1C=O.
What is the InChIKey of ethyl 2-(2-formyl-6-methylphenoxy)acetate?
The InChIKey is FFZYTUKHCRPLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-15-11(14)8-16-12-9(2)5-4-6-10(12)7-13/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-formyl-6-methylphenoxy)acetate?
ethyl 2-(2-formyl-6-methylphenoxy)acetate has a molecular weight of 222.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-formyl-6-methylphenoxy)acetate is sourced from PubChem (CID 57137176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).