2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid

C21H23NO4 — CID 4262212

IUPAC2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)c1
InChIInChI=1S/C21H23NO4/c1-12(2)14-6-5-7-15-16(11-19(23)24)21(22-20(14)15)17-10-13(25-3)8-9-18(17)26-4/h5-10,12,22H,11H2,1-4H3,(H,23,24)
InChIKeyXVDJYNYXKHBLIV-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.60
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid

2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid (PubChem CID 4262212) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
PubChem CID4262212
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)c1
InChIInChI=1S/C21H23NO4/c1-12(2)14-6-5-7-15-16(11-19(23)24)21(22-20(14)15)17-10-13(25-3)8-9-18(17)26-4/h5-10,12,22H,11H2,1-4H3,(H,23,24)
InChIKeyXVDJYNYXKHBLIV-UHFFFAOYSA-N
XLogP4.60
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[2-(3,4-diethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 3258006
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
CID 3264642
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
2-[2-(4-methylsulfanylphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 3596944
2-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid (CID 4262212) is 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid is COc1ccc(OC)c(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid?
The InChIKey is XVDJYNYXKHBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-12(2)14-6-5-7-15-16(11-19(23)24)21(22-20(14)15)17-10-13(25-3)8-9-18(17)26-4/h5-10,12,22H,11H2,1-4H3,(H,23,24).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid?
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4262212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).