ethyl 2-phenoxyacetate

C10H12O3 — CID 17365

IUPACethyl 2-phenoxyacetate
SMILESCCOC(=O)COc1ccccc1
InChIInChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyMGZFVSUXQXCEHM-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-phenoxyacetate

ethyl 2-phenoxyacetate (PubChem CID 17365) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is ethyl 2-phenoxyacetate.

Molecular Properties

Compound Nameethyl 2-phenoxyacetate
PubChem CID17365
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Nameethyl 2-phenoxyacetate
SMILESCCOC(=O)COc1ccccc1
InChIInChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyMGZFVSUXQXCEHM-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenoxyacetate?
The IUPAC name of ethyl 2-phenoxyacetate (CID 17365) is ethyl 2-phenoxyacetate.
What is the SMILES notation for ethyl 2-phenoxyacetate?
The canonical SMILES for ethyl 2-phenoxyacetate is CCOC(=O)COc1ccccc1.
What is the InChIKey of ethyl 2-phenoxyacetate?
The InChIKey is MGZFVSUXQXCEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-phenoxyacetate?
ethyl 2-phenoxyacetate has a molecular weight of 180.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenoxyacetate is sourced from PubChem (CID 17365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).