ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate

C13H18O4 — CID 12714667

IUPACethyl 2-ethoxy-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(OCC)c1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-12(13(14)17-5-2)10-6-8-11(15-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKeyXPKNTYOGIFCWLS-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.34
Rot. Bonds6

About ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate

ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate (PubChem CID 12714667) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-(4-methoxyphenyl)acetate
PubChem CID12714667
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 2-ethoxy-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(OCC)c1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-12(13(14)17-5-2)10-6-8-11(15-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKeyXPKNTYOGIFCWLS-UHFFFAOYSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate (CID 12714667) is ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate is CCOC(=O)C(OCC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate?
The InChIKey is XPKNTYOGIFCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-12(13(14)17-5-2)10-6-8-11(15-3)9-7-10/h6-9,12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate?
ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate has a molecular weight of 238.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 12714667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).