3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

C12H16O6 — CID 170825210

IUPAC3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCCOc1cc(C(O)C(O)C(=O)O)ccc1OC
InChIInChI=1S/C12H16O6/c1-3-18-9-6-7(4-5-8(9)17-2)10(13)11(14)12(15)16/h4-6,10-11,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyLDLILIONPJGZRP-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.57
Rot. Bonds6

About 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170825210) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
PubChem CID170825210
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCCOc1cc(C(O)C(O)C(=O)O)ccc1OC
InChIInChI=1S/C12H16O6/c1-3-18-9-6-7(4-5-8(9)17-2)10(13)11(14)12(15)16/h4-6,10-11,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyLDLILIONPJGZRP-UHFFFAOYSA-N
XLogP0.57
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1,3-bis(3-ethoxy-4-methoxyphenyl)-1,3-bis(4-methylphenyl)propan-2-one
CID 141342275
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (CID 170825210) is 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is CCOc1cc(C(O)C(O)C(=O)O)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is LDLILIONPJGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-3-18-9-6-7(4-5-8(9)17-2)10(13)11(14)12(15)16/h4-6,10-11,13-14H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 256.25 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).