methyl 3-(3,4-dimethoxyphenyl)propanoate

C12H16O4 — CID 520347

IUPACmethyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3
InChIKeyVSWFXSSYWWNFNF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.81
Rot. Bonds5

About methyl 3-(3,4-dimethoxyphenyl)propanoate

methyl 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 520347) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID520347
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3
InChIKeyVSWFXSSYWWNFNF-UHFFFAOYSA-N
XLogP1.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyleugenol
CID 7127
Tetrahydrocurcumin
CID 124072
(6)-Gingerol
CID 442793
Homovanillic Acid
CID 1738
Zingerone
CID 31211
(-)-Arctigenin
CID 64981
Eugenyl benzoate
CID 62362
(-)-Matairesinol
CID 119205
Paradol
CID 94378
Eugenyl Acetate
CID 7136
Methylisoeugenol
CID 637776
Anisylacetone
CID 61007

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)propanoate (CID 520347) is methyl 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)propanoate is COC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is VSWFXSSYWWNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)propanoate?
methyl 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 520347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).