2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid

C18H15Cl2NO2 — CID 3394967

IUPAC2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
SMILESCc1cc(C)c2c(CC(=O)O)c(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C18H15Cl2NO2/c1-9-6-10(2)16-12(8-15(22)23)18(21-14(16)7-9)11-4-3-5-13(19)17(11)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyKZKGQLKEPORQIN-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.39
Rot. Bonds3

About 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid

2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid (PubChem CID 3394967) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
PubChem CID3394967
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
SMILESCc1cc(C)c2c(CC(=O)O)c(-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C18H15Cl2NO2/c1-9-6-10(2)16-12(8-15(22)23)18(21-14(16)7-9)11-4-3-5-13(19)17(11)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyKZKGQLKEPORQIN-UHFFFAOYSA-N
XLogP5.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
2-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 4234717
2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4018835
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
4-[2-(2,3-dichlorophenyl)-4,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 5158000
2-[4-chloro-2-(3,4-dichlorophenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5207685
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
CID 82269123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid (CID 3394967) is 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid is Cc1cc(C)c2c(CC(=O)O)c(-c3cccc(Cl)c3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid?
The InChIKey is KZKGQLKEPORQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-9-6-10(2)16-12(8-15(22)23)18(21-14(16)7-9)11-4-3-5-13(19)17(11)20/h3-7,21H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid?
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid has a molecular weight of 348.23 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3394967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).