ethyl 2-(4-phenylmethoxyphenyl)acetate

C17H18O3 — CID 2737428

IUPACethyl 2-(4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-17(18)12-14-8-10-16(11-9-14)20-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyMMKJGLKGTNSPFJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.37
Rot. Bonds6

About ethyl 2-(4-phenylmethoxyphenyl)acetate

ethyl 2-(4-phenylmethoxyphenyl)acetate (PubChem CID 2737428) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylmethoxyphenyl)acetate
PubChem CID2737428
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-(4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-17(18)12-14-8-10-16(11-9-14)20-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyMMKJGLKGTNSPFJ-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4-phenylmethoxyphenyl)acetate (CID 2737428) is ethyl 2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4-phenylmethoxyphenyl)acetate is CCOC(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is MMKJGLKGTNSPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-19-17(18)12-14-8-10-16(11-9-14)20-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(4-phenylmethoxyphenyl)acetate?
ethyl 2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 270.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 2737428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).