methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate

C12H16O5 — CID 12862928

IUPACmethyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(OC)c(OC)cc1O
InChIInChI=1S/C12H16O5/c1-15-10-6-8(4-5-12(14)17-3)9(13)7-11(10)16-2/h6-7,13H,4-5H2,1-3H3
InChIKeyVZAVESOFFKUXBA-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.51
Rot. Bonds5

About methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate

methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate (PubChem CID 12862928) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
PubChem CID12862928
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(OC)c(OC)cc1O
InChIInChI=1S/C12H16O5/c1-15-10-6-8(4-5-12(14)17-3)9(13)7-11(10)16-2/h6-7,13H,4-5H2,1-3H3
InChIKeyVZAVESOFFKUXBA-UHFFFAOYSA-N
XLogP1.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
butyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
CID 123255123
methyl 3-[5-[(2R,3R,4R)-3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl]-2-hydroxy-4-methoxyphenyl]propanoate
CID 86294825
methyl 3-(5-iodo-2-methoxyphenyl)propanoate
CID 82552102
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
CID 15391031
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
3-(5-cyano-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 117315274
methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
CID 156581424

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate (CID 12862928) is methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate is COC(=O)CCc1cc(OC)c(OC)cc1O.
What is the InChIKey of methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The InChIKey is VZAVESOFFKUXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-15-10-6-8(4-5-12(14)17-3)9(13)7-11(10)16-2/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate has a molecular weight of 240.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 12862928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).