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

C13H18O4 — CID 15812003

IUPACmethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H18O4/c1-8-9(2)13(17-5)10(6-11(8)15-3)7-12(14)16-4/h6H,7H2,1-5H3
InChIKeyQMXFLBAEPDLITQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.04
Rot. Bonds4

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

methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate (PubChem CID 15812003) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
PubChem CID15812003
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H18O4/c1-8-9(2)13(17-5)10(6-11(8)15-3)7-12(14)16-4/h6H,7H2,1-5H3
InChIKeyQMXFLBAEPDLITQ-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029
methyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171022993
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
methyl 2-[2-bromo-3-(chloromethyl)-4,5-dimethoxyphenyl]acetate
CID 154091965
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate?
The IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate (CID 15812003) is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate is COC(=O)Cc1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate?
The InChIKey is QMXFLBAEPDLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8-9(2)13(17-5)10(6-11(8)15-3)7-12(14)16-4/h6H,7H2,1-5H3.
What are the key properties of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate?
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate has a molecular weight of 238.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate is sourced from PubChem (CID 15812003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).