2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid

C132H125Cl7N6O18 — CID 162052478

IUPAC2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid
SMILESCc1cc(OCCCc2cn(CC(=O)O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3cccc(Cl)c23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3ccccc23)cc(C)c1Cl.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/2C23H20ClNO3.C23H21NO3.2C21H21Cl2NO3.C21H22ClNO3/c24-19-10-4-11-20-23(19)17(14-25(20)15-22(26)27)8-5-13-28-21-12-3-7-16-6-1-2-9-18(16)21;24-18-10-11-19-17(14-25(15-23(26)27)21(19)13-18)7-4-12-28-22-9-3-6-16-5-1-2-8-20(16)22;25-23(26)16-24-15-18(19-10-3-4-12-21(19)24)9-6-14-27-22-13-5-8-17-7-1-2-11-20(17)22;1-13-9-16(10-14(2)21(13)23)27-8-4-5-15-11-24(12-19(25)26)18-7-3-6-17(22)20(15)18;1-13-8-17(9-14(2)21(13)23)27-7-3-4-15-11-24(12-20(25)26)19-10-16(22)5-6-18(15)19;1-14-10-17(11-15(2)21(14)22)26-9-5-6-16-12-23(13-20(24)25)19-8-4-3-7-18(16)19/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,26,27);1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,27);1-5,7-8,10-13,15H,6,9,14,16H2,(H,25,26);3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,25,26);5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,26);3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,24,25)
InChIKeyYYSNHTUHCRXVJJ-UHFFFAOYSA-N
MW2331.65 g/mol
LogP32.31
Rot. Bonds42

About 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid

2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid (PubChem CID 162052478) has the molecular formula C132H125Cl7N6O18 and a molecular weight of 2331.65 g/mol. Its IUPAC name is 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid
PubChem CID162052478
Molecular FormulaC132H125Cl7N6O18
Molecular Weight2331.65 g/mol
Exact Mass2326.69
IUPAC Name2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid
SMILESCc1cc(OCCCc2cn(CC(=O)O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3cccc(Cl)c23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3ccccc23)cc(C)c1Cl.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/2C23H20ClNO3.C23H21NO3.2C21H21Cl2NO3.C21H22ClNO3/c24-19-10-4-11-20-23(19)17(14-25(20)15-22(26)27)8-5-13-28-21-12-3-7-16-6-1-2-9-18(16)21;24-18-10-11-19-17(14-25(15-23(26)27)21(19)13-18)7-4-12-28-22-9-3-6-16-5-1-2-8-20(16)22;25-23(26)16-24-15-18(19-10-3-4-12-21(19)24)9-6-14-27-22-13-5-8-17-7-1-2-11-20(17)22;1-13-9-16(10-14(2)21(13)23)27-8-4-5-15-11-24(12-19(25)26)18-7-3-6-17(22)20(15)18;1-13-8-17(9-14(2)21(13)23)27-7-3-4-15-11-24(12-20(25)26)19-10-16(22)5-6-18(15)19;1-14-10-17(11-15(2)21(14)22)26-9-5-6-16-12-23(13-20(24)25)19-8-4-3-7-18(16)19/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,26,27);1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,27);1-5,7-8,10-13,15H,6,9,14,16H2,(H,25,26);3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,25,26);5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,26);3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,24,25)
InChIKeyYYSNHTUHCRXVJJ-UHFFFAOYSA-N
XLogP32.31
TPSA308.76 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.65
LogP ≤ 532.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid with MolForge

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Related Compounds

3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)-2-methylpropyl]indol-1-yl]propanoic acid;3-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfonylpropanamide;3-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]-N-methylsulfonylpropanamide;N-methylsulfonyl-3-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]propanamide
CID 159411952
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
3-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 144800781
2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]-N-methylsulfanylbutanamide
CID 144800786
2-[1-(carboxymethyl)-4-[(E)-2-[4-[4-(2-chlorophenoxy)butoxy]phenyl]ethenyl]indol-3-yl]acetic acid
CID 68695308
6-chloro-3-(3-naphthalen-1-yloxypropyl)-1-benzothiophene-2-carboxylic acid
CID 71545994
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-methylsulfonyl-1-benzothiophene-2-carboxamide;N-cyclopropylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1-benzothiophene-2-carboxamide;3-(2-naphthalen-1-ylethyl)-1-benzothiophene-2-carboxylic acid;3-(3-naphthalen-1-ylpropyl)-1-benzothiophene-2-carboxylic acid
CID 157496077
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-[2-[(3-methylindol-1-yl)methyl]phenyl]-1-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 177378796
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
CID 63568121

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid (CID 162052478) is 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid is Cc1cc(OCCCc2cn(CC(=O)O)c3cc(Cl)ccc23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3cccc(Cl)c23)cc(C)c1Cl.Cc1cc(OCCCc2cn(CC(=O)O)c3ccccc23)cc(C)c1Cl.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21.O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid?
The InChIKey is YYSNHTUHCRXVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20ClNO3.C23H21NO3.2C21H21Cl2NO3.C21H22ClNO3/c24-19-10-4-11-20-23(19)17(14-25(20)15-22(26)27)8-5-13-28-21-12-3-7-16-6-1-2-9-18(16)21;24-18-10-11-19-17(14-25(15-23(26)27)21(19)13-18)7-4-12-28-22-9-3-6-16-5-1-2-8-20(16)22;25-23(26)16-24-15-18(19-10-3-4-12-21(19)24)9-6-14-27-22-13-5-8-17-7-1-2-11-20(17)22;1-13-9-16(10-14(2)21(13)23)27-8-4-5-15-11-24(12-19(25)26)18-7-3-6-17(22)20(15)18;1-13-8-17(9-14(2)21(13)23)27-7-3-4-15-11-24(12-20(25)26)19-10-16(22)5-6-18(15)19;1-14-10-17(11-15(2)21(14)22)26-9-5-6-16-12-23(13-20(24)25)19-8-4-3-7-18(16)19/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,26,27);1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,27);1-5,7-8,10-13,15H,6,9,14,16H2,(H,25,26);3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,25,26);5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,26);3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid?
2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid has a molecular weight of 2331.65 g/mol, XLogP of 32.31, 42 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-1-yl]acetic acid;2-[4-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[6-chloro-3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid;2-[3-(3-naphthalen-1-yloxypropyl)indol-1-yl]acetic acid is sourced from PubChem (CID 162052478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).