ethyl 2-phenylmethoxypropanoate

C12H16O3 — CID 561970

IUPACethyl 2-phenylmethoxypropanoate
SMILESCCOC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyYECFQHZUGDYXTN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.15
Rot. Bonds5

About ethyl 2-phenylmethoxypropanoate

ethyl 2-phenylmethoxypropanoate (PubChem CID 561970) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-phenylmethoxypropanoate.

Molecular Properties

Compound Nameethyl 2-phenylmethoxypropanoate
PubChem CID561970
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 2-phenylmethoxypropanoate
SMILESCCOC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyYECFQHZUGDYXTN-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylmethoxypropanoate?
The IUPAC name of ethyl 2-phenylmethoxypropanoate (CID 561970) is ethyl 2-phenylmethoxypropanoate.
What is the SMILES notation for ethyl 2-phenylmethoxypropanoate?
The canonical SMILES for ethyl 2-phenylmethoxypropanoate is CCOC(=O)C(C)OCc1ccccc1.
What is the InChIKey of ethyl 2-phenylmethoxypropanoate?
The InChIKey is YECFQHZUGDYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of ethyl 2-phenylmethoxypropanoate?
ethyl 2-phenylmethoxypropanoate has a molecular weight of 208.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylmethoxypropanoate is sourced from PubChem (CID 561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).