methyl 3-(2,4-dipropoxyphenyl)propanoate

C16H24O4 — CID 82551369

IUPACmethyl 3-(2,4-dipropoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)c(OCCC)c1
InChIInChI=1S/C16H24O4/c1-4-10-19-14-8-6-13(7-9-16(17)18-3)15(12-14)20-11-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyURRKNUCUQYDCDF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.37
Rot. Bonds9

About methyl 3-(2,4-dipropoxyphenyl)propanoate

methyl 3-(2,4-dipropoxyphenyl)propanoate (PubChem CID 82551369) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is methyl 3-(2,4-dipropoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dipropoxyphenyl)propanoate
PubChem CID82551369
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namemethyl 3-(2,4-dipropoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)c(OCCC)c1
InChIInChI=1S/C16H24O4/c1-4-10-19-14-8-6-13(7-9-16(17)18-3)15(12-14)20-11-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyURRKNUCUQYDCDF-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-(4-chloro-2,5-dipropoxyphenyl)propanoate
CID 82551620
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
3-[4-(4-methoxy-4-oxobutoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid
CID 19922034
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
methyl 2-[[2,4-di(docosoxy)phenyl]methylamino]acetate
CID 71604456
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
methyl 3-[4-[(3S)-3-hydroxypentoxy]-2-methylphenyl]propanoate
CID 58753636

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dipropoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2,4-dipropoxyphenyl)propanoate (CID 82551369) is methyl 3-(2,4-dipropoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2,4-dipropoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2,4-dipropoxyphenyl)propanoate is CCCOc1ccc(CCC(=O)OC)c(OCCC)c1.
What is the InChIKey of methyl 3-(2,4-dipropoxyphenyl)propanoate?
The InChIKey is URRKNUCUQYDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-10-19-14-8-6-13(7-9-16(17)18-3)15(12-14)20-11-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3.
What are the key properties of methyl 3-(2,4-dipropoxyphenyl)propanoate?
methyl 3-(2,4-dipropoxyphenyl)propanoate has a molecular weight of 280.36 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dipropoxyphenyl)propanoate is sourced from PubChem (CID 82551369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).