2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid

C18H15Cl2NO3 — CID 3909439

IUPAC2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CC(=O)O)c2c1
InChIInChI=1S/C18H15Cl2NO3/c1-9-5-11(24-2)7-12-13(8-16(22)23)18(21-17(9)12)10-3-4-14(19)15(20)6-10/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyALPCNUVSIJCLHV-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.09
Rot. Bonds4

About 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid

2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid (PubChem CID 3909439) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
PubChem CID3909439
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CC(=O)O)c2c1
InChIInChI=1S/C18H15Cl2NO3/c1-9-5-11(24-2)7-12-13(8-16(22)23)18(21-17(9)12)10-3-4-14(19)15(20)6-10/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyALPCNUVSIJCLHV-UHFFFAOYSA-N
XLogP5.09
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330
2-[2-(3,4-diethoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3928874
2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 5137244
2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3452357
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-[6-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3375280
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3934205
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
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-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid (CID 3909439) is 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid is COc1cc(C)c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The InChIKey is ALPCNUVSIJCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-9-5-11(24-2)7-12-13(8-16(22)23)18(21-17(9)12)10-3-4-14(19)15(20)6-10/h3-7,21H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid has a molecular weight of 364.23 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3909439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).