7-methoxy-1-propan-2-ylindole-4-carboxylic acid

C13H15NO3 — CID 67468682

IUPAC7-methoxy-1-propan-2-ylindole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccn(C(C)C)c12
InChIInChI=1S/C13H15NO3/c1-8(2)14-7-6-9-10(13(15)16)4-5-11(17-3)12(9)14/h4-8H,1-3H3,(H,15,16)
InChIKeyRXJLSLZPTNBJSY-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.93
Rot. Bonds3

About 7-methoxy-1-propan-2-ylindole-4-carboxylic acid

7-methoxy-1-propan-2-ylindole-4-carboxylic acid (PubChem CID 67468682) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methoxy-1-propan-2-ylindole-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1-propan-2-ylindole-4-carboxylic acid
PubChem CID67468682
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7-methoxy-1-propan-2-ylindole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2ccn(C(C)C)c12
InChIInChI=1S/C13H15NO3/c1-8(2)14-7-6-9-10(13(15)16)4-5-11(17-3)12(9)14/h4-8H,1-3H3,(H,15,16)
InChIKeyRXJLSLZPTNBJSY-UHFFFAOYSA-N
XLogP2.93
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-4-nitroso-1-propan-2-ylindole
CID 88972934
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
8-methoxyindolizine-1-carboxylic acid
CID 169203127
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
6-ethyl-1-propan-2-ylindole-4-carboxylic acid
CID 123691818
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-propan-2-ylindole-4-carboxylic acid?
The IUPAC name of 7-methoxy-1-propan-2-ylindole-4-carboxylic acid (CID 67468682) is 7-methoxy-1-propan-2-ylindole-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-1-propan-2-ylindole-4-carboxylic acid?
The canonical SMILES for 7-methoxy-1-propan-2-ylindole-4-carboxylic acid is COc1ccc(C(=O)O)c2ccn(C(C)C)c12.
What is the InChIKey of 7-methoxy-1-propan-2-ylindole-4-carboxylic acid?
The InChIKey is RXJLSLZPTNBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)14-7-6-9-10(13(15)16)4-5-11(17-3)12(9)14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 7-methoxy-1-propan-2-ylindole-4-carboxylic acid?
7-methoxy-1-propan-2-ylindole-4-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-propan-2-ylindole-4-carboxylic acid is sourced from PubChem (CID 67468682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).