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

C19H19NO2 — CID 3967838

IUPAC2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccc(-c2[nH]c3cc(C)cc(C)c3c2CC(=O)O)cc1
InChIInChI=1S/C19H19NO2/c1-11-4-6-14(7-5-11)19-15(10-17(21)22)18-13(3)8-12(2)9-16(18)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyPZMFENSNVZADMI-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.39
Rot. Bonds3

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

2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3967838) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3967838
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccc(-c2[nH]c3cc(C)cc(C)c3c2CC(=O)O)cc1
InChIInChI=1S/C19H19NO2/c1-11-4-6-14(7-5-11)19-15(10-17(21)22)18-13(3)8-12(2)9-16(18)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyPZMFENSNVZADMI-UHFFFAOYSA-N
XLogP4.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[2-(2,3-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 3394967
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 4234717
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-[4,6-dichloro-2-(2,4-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 4588071
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[4-chloro-2-(3,4-dichlorophenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5207685
2-[2-(4-bromophenyl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid
CID 5203529
3-ethyl-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 84622568
2-[4-chloro-2-(4-ethylphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5039749

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (CID 3967838) is 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is Cc1ccc(-c2[nH]c3cc(C)cc(C)c3c2CC(=O)O)cc1.
What is the InChIKey of 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is PZMFENSNVZADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-4-6-14(7-5-11)19-15(10-17(21)22)18-13(3)8-12(2)9-16(18)20-19/h4-9,20H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3967838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).