methyl 3-(4-phenylmethoxyphenyl)propanoate

C17H18O3 — CID 525519

IUPACmethyl 3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3
InChIKeyXAAMAAXKDLWBKO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.37
Rot. Bonds6

About methyl 3-(4-phenylmethoxyphenyl)propanoate

methyl 3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 525519) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-phenylmethoxyphenyl)propanoate
PubChem CID525519
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3
InChIKeyXAAMAAXKDLWBKO-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 methyl 3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-phenylmethoxyphenyl)propanoate (CID 525519) is methyl 3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-phenylmethoxyphenyl)propanoate is COC(=O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is XAAMAAXKDLWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3.
What are the key properties of methyl 3-(4-phenylmethoxyphenyl)propanoate?
methyl 3-(4-phenylmethoxyphenyl)propanoate 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 methyl 3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 525519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).