methyl 3-(2,4,6-trimethoxyphenyl)propanoate

C13H18O5 — CID 25107739

IUPACmethyl 3-(2,4,6-trimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C13H18O5/c1-15-9-7-11(16-2)10(12(8-9)17-3)5-6-13(14)18-4/h7-8H,5-6H2,1-4H3
InChIKeyPLHQXUKOGKYEQE-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.82
Rot. Bonds6

About methyl 3-(2,4,6-trimethoxyphenyl)propanoate

methyl 3-(2,4,6-trimethoxyphenyl)propanoate (PubChem CID 25107739) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 3-(2,4,6-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4,6-trimethoxyphenyl)propanoate
PubChem CID25107739
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 3-(2,4,6-trimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C13H18O5/c1-15-9-7-11(16-2)10(12(8-9)17-3)5-6-13(14)18-4/h7-8H,5-6H2,1-4H3
InChIKeyPLHQXUKOGKYEQE-UHFFFAOYSA-N
XLogP1.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
CID 69082969
N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide
CID 116844991
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
3-(4-formyloxy-2,6-dimethoxyphenyl)propanoic acid
CID 175274116
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4,6-trimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2,4,6-trimethoxyphenyl)propanoate (CID 25107739) is methyl 3-(2,4,6-trimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2,4,6-trimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2,4,6-trimethoxyphenyl)propanoate is COC(=O)CCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 3-(2,4,6-trimethoxyphenyl)propanoate?
The InChIKey is PLHQXUKOGKYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-15-9-7-11(16-2)10(12(8-9)17-3)5-6-13(14)18-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 3-(2,4,6-trimethoxyphenyl)propanoate?
methyl 3-(2,4,6-trimethoxyphenyl)propanoate has a molecular weight of 254.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4,6-trimethoxyphenyl)propanoate is sourced from PubChem (CID 25107739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).