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

C20H19NO4 — CID 11450564

IUPAC2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23)
InChIKeyASIGZZOVSCNZDW-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.58
Rot. Bonds4

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

2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid (PubChem CID 11450564) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
PubChem CID11450564
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23)
InChIKeyASIGZZOVSCNZDW-UHFFFAOYSA-N
XLogP3.58
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid (CID 11450564) is 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid?
The InChIKey is ASIGZZOVSCNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid?
2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid is sourced from PubChem (CID 11450564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).