(4-methoxyphenyl)methyl 3-phenylpropanoate

C17H18O3 — CID 23201626

IUPAC(4-methoxyphenyl)methyl 3-phenylpropanoate
SMILESCOc1ccc(COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-16-10-7-15(8-11-16)13-20-17(18)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyVUYPEAULJPURQU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.37
Rot. Bonds6

About (4-methoxyphenyl)methyl 3-phenylpropanoate

(4-methoxyphenyl)methyl 3-phenylpropanoate (PubChem CID 23201626) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-phenylpropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-phenylpropanoate
PubChem CID23201626
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-methoxyphenyl)methyl 3-phenylpropanoate
SMILESCOc1ccc(COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-16-10-7-15(8-11-16)13-20-17(18)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyVUYPEAULJPURQU-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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Related Compounds

azane;benzyl 3-phenylpropanoate
CID 175136325
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
benzyl 5-(4-methoxyphenyl)-2-oxopentanoate
CID 18370787
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
3-O-benzyl 1-O-methyl 2-[1-amino-3-(4-methoxyphenyl)propylidene]propanedioate
CID 57363379
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
1-O,1-O-dibenzyl 2-O,3-O-bis[(4-methoxyphenyl)methyl] (2R)-propane-1,1,2,3-tetracarboxylate
CID 177420239

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-phenylpropanoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-phenylpropanoate (CID 23201626) is (4-methoxyphenyl)methyl 3-phenylpropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-phenylpropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-phenylpropanoate is COc1ccc(COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-phenylpropanoate?
The InChIKey is VUYPEAULJPURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-16-10-7-15(8-11-16)13-20-17(18)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 3-phenylpropanoate?
(4-methoxyphenyl)methyl 3-phenylpropanoate 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 (4-methoxyphenyl)methyl 3-phenylpropanoate is sourced from PubChem (CID 23201626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).