2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid

C19H20O6 — CID 83951389

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc3c(c2)OCCO3)c1OC
InChIInChI=1S/C19H20O6/c1-22-16-5-3-4-13(18(16)23-2)10-14(19(20)21)12-6-7-15-17(11-12)25-9-8-24-15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)
InChIKeyGEIIDJFSLJFHNU-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.89
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid (PubChem CID 83951389) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
PubChem CID83951389
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccc3c(c2)OCCO3)c1OC
InChIInChI=1S/C19H20O6/c1-22-16-5-3-4-13(18(16)23-2)10-14(19(20)21)12-6-7-15-17(11-12)25-9-8-24-15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)
InChIKeyGEIIDJFSLJFHNU-UHFFFAOYSA-N
XLogP2.89
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)propanoic acid
CID 82139896
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
2-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 82140639
2-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 20985305
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
(2S)-2-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]ethanol
CID 10904084
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
2-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 82083822
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid (CID 83951389) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid is COc1cccc(CC(C(=O)O)c2ccc3c(c2)OCCO3)c1OC.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid?
The InChIKey is GEIIDJFSLJFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-16-5-3-4-13(18(16)23-2)10-14(19(20)21)12-6-7-15-17(11-12)25-9-8-24-15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid has a molecular weight of 344.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 83951389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).