methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate

C14H20O4 — CID 116927465

IUPACmethyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
SMILESCOC(=O)CCc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H20O4/c1-9-10(2)14(18-5)11(8-12(9)16-3)6-7-13(15)17-4/h8H,6-7H2,1-5H3
InChIKeyAXWLUPVPMSMREX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds5

About methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate

methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate (PubChem CID 116927465) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
PubChem CID116927465
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
SMILESCOC(=O)CCc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H20O4/c1-9-10(2)14(18-5)11(8-12(9)16-3)6-7-13(15)17-4/h8H,6-7H2,1-5H3
InChIKeyAXWLUPVPMSMREX-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate?
The IUPAC name of methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate (CID 116927465) is methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate.
What is the SMILES notation for methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate?
The canonical SMILES for methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate is COC(=O)CCc1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate?
The InChIKey is AXWLUPVPMSMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-10(2)14(18-5)11(8-12(9)16-3)6-7-13(15)17-4/h8H,6-7H2,1-5H3.
What are the key properties of methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate?
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate has a molecular weight of 252.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate is sourced from PubChem (CID 116927465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).