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

C19H19NO3 — CID 5207147

IUPAC2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(C)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C19H19NO3/c1-11-4-6-13(7-5-11)19-16(10-17(21)22)15-9-14(23-3)8-12(2)18(15)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyLUOAVTHRKQSUKL-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.09
Rot. Bonds4

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

2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 5207147) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID5207147
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
SMILESCOc1cc(C)c2[nH]c(-c3ccc(C)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C19H19NO3/c1-11-4-6-13(7-5-11)19-16(10-17(21)22)15-9-14(23-3)8-12(2)18(15)20-19/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyLUOAVTHRKQSUKL-UHFFFAOYSA-N
XLogP4.09
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid (CID 5207147) is 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is COc1cc(C)c2[nH]c(-c3ccc(C)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is LUOAVTHRKQSUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-4-6-13(7-5-11)19-16(10-17(21)22)15-9-14(23-3)8-12(2)18(15)20-19/h4-9,20H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid?
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5207147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).