2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid

C19H19NO2 — CID 3667771

IUPAC2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1cccc(-c2[nH]c3c(C)ccc(C)c3c2CC(=O)O)c1
InChIInChI=1S/C19H19NO2/c1-11-5-4-6-14(9-11)19-15(10-16(21)22)17-12(2)7-8-13(3)18(17)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyTZSRXKNGQHBRFW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.39
Rot. Bonds3

About 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid

2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3667771) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3667771
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCc1cccc(-c2[nH]c3c(C)ccc(C)c3c2CC(=O)O)c1
InChIInChI=1S/C19H19NO2/c1-11-5-4-6-14(9-11)19-15(10-16(21)22)17-12(2)7-8-13(3)18(17)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyTZSRXKNGQHBRFW-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-[2-(3-bromophenyl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4993473
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330
2-[2-(1,3-benzodioxol-5-yl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3924560
2-[4,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3528204
2-[4-chloro-2-(3,4-dichlorophenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5207685
2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3934205
2-[2-(2-bromophenyl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3448153
2-[5-iodo-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3571200
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[2-(4-bromophenyl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid
CID 5203529
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 4309109

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid (CID 3667771) is 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid is Cc1cccc(-c2[nH]c3c(C)ccc(C)c3c2CC(=O)O)c1.
What is the InChIKey of 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is TZSRXKNGQHBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-5-4-6-14(9-11)19-15(10-16(21)22)17-12(2)7-8-13(3)18(17)20-19/h4-9,20H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid?
2-[4,7-dimethyl-2-(3-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-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3667771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).