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

C17H13Cl2NO2 — CID 5138090

IUPAC2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CC(=O)O)cc1
InChIInChI=1S/C17H13Cl2NO2/c1-9-2-4-10(5-3-9)17-12(8-15(21)22)16-13(19)6-11(18)7-14(16)20-17/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyHYAXFZXSRMFOIQ-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.08
Rot. Bonds3

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

2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 5138090) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID5138090
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CC(=O)O)cc1
InChIInChI=1S/C17H13Cl2NO2/c1-9-2-4-10(5-3-9)17-12(8-15(21)22)16-13(19)6-11(18)7-14(16)20-17/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyHYAXFZXSRMFOIQ-UHFFFAOYSA-N
XLogP5.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[4,6-dichloro-2-(4-methylphenyl)-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-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
4-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3919387
2-[4,6-dichloro-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4015261
2-[4,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4018835
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 4309109
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
2-[4-chloro-2-(3,4-dichlorophenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5207685
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[2-(4-chlorophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3994534
2-[2-(4-bromophenyl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid
CID 5203529

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (CID 5138090) is 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is Cc1ccc(-c2[nH]c3cc(Cl)cc(Cl)c3c2CC(=O)O)cc1.
What is the InChIKey of 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is HYAXFZXSRMFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-9-2-4-10(5-3-9)17-12(8-15(21)22)16-13(19)6-11(18)7-14(16)20-17/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 334.20 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).