ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate

C13H18O6 — CID 74828202

IUPACethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H18O6/c1-4-19-13(16)12(15)11(14)8-5-6-9(17-2)10(7-8)18-3/h5-7,11-12,14-15H,4H2,1-3H3
InChIKeyAUQUQEMZLXPRMV-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.66
Rot. Bonds6

About ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate

ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 74828202) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
PubChem CID74828202
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Nameethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H18O6/c1-4-19-13(16)12(15)11(14)8-5-6-9(17-2)10(7-8)18-3/h5-7,11-12,14-15H,4H2,1-3H3
InChIKeyAUQUQEMZLXPRMV-UHFFFAOYSA-N
XLogP0.66
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-bromo-3-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171867216
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
2-[5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxyphenyl]acetic acid
CID 171866985
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxybenzoic acid
CID 171866710
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
CID 99864693
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate (CID 74828202) is ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is AUQUQEMZLXPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-4-19-13(16)12(15)11(14)8-5-6-9(17-2)10(7-8)18-3/h5-7,11-12,14-15H,4H2,1-3H3.
What are the key properties of ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate?
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 270.28 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 74828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).