2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid

C20H20ClNO5 — CID 3521189

IUPAC2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(-c2[nH]c3c(C)c(Cl)ccc3c2CC(=O)O)c(OC)c1OC
InChIInChI=1S/C20H20ClNO5/c1-10-14(21)7-5-11-13(9-16(23)24)18(22-17(10)11)12-6-8-15(25-2)20(27-4)19(12)26-3/h5-8,22H,9H2,1-4H3,(H,23,24)
InChIKeyNHDUMWBIXGWJEW-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.45
Rot. Bonds6

About 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid

2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3521189) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3521189
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(-c2[nH]c3c(C)c(Cl)ccc3c2CC(=O)O)c(OC)c1OC
InChIInChI=1S/C20H20ClNO5/c1-10-14(21)7-5-11-13(9-16(23)24)18(22-17(10)11)12-6-8-15(25-2)20(27-4)19(12)26-3/h5-8,22H,9H2,1-4H3,(H,23,24)
InChIKeyNHDUMWBIXGWJEW-UHFFFAOYSA-N
XLogP4.45
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic 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

2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
2-[6-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3375280
2-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
2-[2-(3-fluoro-4-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3963041
2-[2-(3-ethoxy-4-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3919080
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
4-[6-chloro-2-(2-methoxy-5-methylsulfanylphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4233661
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4262212
2-[2-(5-fluoro-2-methoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4009632
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[5,7-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3350180

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid (CID 3521189) is 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid is COc1ccc(-c2[nH]c3c(C)c(Cl)ccc3c2CC(=O)O)c(OC)c1OC.
What is the InChIKey of 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is NHDUMWBIXGWJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-10-14(21)7-5-11-13(9-16(23)24)18(22-17(10)11)12-6-8-15(25-2)20(27-4)19(12)26-3/h5-8,22H,9H2,1-4H3,(H,23,24).
What are the key properties of 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 389.84 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3521189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).