propyl 3-(3,4,5-trimethoxyphenyl)propanoate

C15H22O5 — CID 56929908

IUPACpropyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCCOC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22O5/c1-5-8-20-14(16)7-6-11-9-12(17-2)15(19-4)13(10-11)18-3/h9-10H,5-8H2,1-4H3
InChIKeyGSAVNXQHIUZARH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds8

About propyl 3-(3,4,5-trimethoxyphenyl)propanoate

propyl 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 56929908) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is propyl 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID56929908
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namepropyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCCOC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22O5/c1-5-8-20-14(16)7-6-11-9-12(17-2)15(19-4)13(10-11)18-3/h9-10H,5-8H2,1-4H3
InChIKeyGSAVNXQHIUZARH-UHFFFAOYSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
butyl 3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 66734188
3-hydroxypropyl 3-[4-hydroxy-3-[2-hydroxy-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-3-methoxyphenyl]-5-methoxyphenyl]propanoate
CID 162818155
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of propyl 3-(3,4,5-trimethoxyphenyl)propanoate (CID 56929908) is propyl 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for propyl 3-(3,4,5-trimethoxyphenyl)propanoate is CCCOC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is GSAVNXQHIUZARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-8-20-14(16)7-6-11-9-12(17-2)15(19-4)13(10-11)18-3/h9-10H,5-8H2,1-4H3.
What are the key properties of propyl 3-(3,4,5-trimethoxyphenyl)propanoate?
propyl 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 282.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 56929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).