1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid

C19H19NO4 — CID 742160

IUPAC1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCOc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C19H19NO4/c1-4-24-14-7-5-13(6-8-14)20-12(2)18(19(21)22)16-11-15(23-3)9-10-17(16)20/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyYUDOKHNBPIKZTQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid

1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid (PubChem CID 742160) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid
PubChem CID742160
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCOc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C19H19NO4/c1-4-24-14-7-5-13(6-8-14)20-12(2)18(19(21)22)16-11-15(23-3)9-10-17(16)20/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyYUDOKHNBPIKZTQ-UHFFFAOYSA-N
XLogP4.04
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid (CID 742160) is 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid is CCOc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid?
The InChIKey is YUDOKHNBPIKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-24-14-7-5-13(6-8-14)20-12(2)18(19(21)22)16-11-15(23-3)9-10-17(16)20/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid?
1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-methoxy-2-methylindole-3-carboxylic acid is sourced from PubChem (CID 742160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).