3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid

C19H22O6 — CID 112720015

IUPAC3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H22O6/c1-22-15-8-6-5-7-12(15)11-14(19(20)21)13-9-10-16(23-2)18(25-4)17(13)24-3/h5-10,14H,11H2,1-4H3,(H,20,21)
InChIKeyZNVJKFYCZVWKSF-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.13
Rot. Bonds8

About 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid

3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid (PubChem CID 112720015) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
PubChem CID112720015
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H22O6/c1-22-15-8-6-5-7-12(15)11-14(19(20)21)13-9-10-16(23-2)18(25-4)17(13)24-3/h5-10,14H,11H2,1-4H3,(H,20,21)
InChIKeyZNVJKFYCZVWKSF-UHFFFAOYSA-N
XLogP3.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid (CID 112720015) is 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid?
The InChIKey is ZNVJKFYCZVWKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-15-8-6-5-7-12(15)11-14(19(20)21)13-9-10-16(23-2)18(25-4)17(13)24-3/h5-10,14H,11H2,1-4H3,(H,20,21).
What are the key properties of 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid?
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid has a molecular weight of 346.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid is sourced from PubChem (CID 112720015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).