6-methoxy-1-propylindole-3-carboxylic acid

C13H15NO3 — CID 53418823

IUPAC6-methoxy-1-propylindole-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C13H15NO3/c1-3-6-14-8-11(13(15)16)10-5-4-9(17-2)7-12(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyDDBUHSCUGIFDPT-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.76
Rot. Bonds4

About 6-methoxy-1-propylindole-3-carboxylic acid

6-methoxy-1-propylindole-3-carboxylic acid (PubChem CID 53418823) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methoxy-1-propylindole-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-propylindole-3-carboxylic acid
PubChem CID53418823
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-methoxy-1-propylindole-3-carboxylic acid
SMILESCCCn1cc(C(=O)O)c2ccc(OC)cc21
InChIInChI=1S/C13H15NO3/c1-3-6-14-8-11(13(15)16)10-5-4-9(17-2)7-12(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyDDBUHSCUGIFDPT-UHFFFAOYSA-N
XLogP2.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-6-methoxyindole-3-carboxylic acid
CID 67030994
2,2-dimethylpropyl 5-methoxy-1-propylindole-3-carboxylate
CID 141093705
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 66973768
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
2,4-dimethoxybenzamide;1-(2-phenylethyl)indole-3-carboxylic acid
CID 175255452
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propylindole-3-carboxylic acid?
The IUPAC name of 6-methoxy-1-propylindole-3-carboxylic acid (CID 53418823) is 6-methoxy-1-propylindole-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-propylindole-3-carboxylic acid?
The canonical SMILES for 6-methoxy-1-propylindole-3-carboxylic acid is CCCn1cc(C(=O)O)c2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-propylindole-3-carboxylic acid?
The InChIKey is DDBUHSCUGIFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-6-14-8-11(13(15)16)10-5-4-9(17-2)7-12(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-1-propylindole-3-carboxylic acid?
6-methoxy-1-propylindole-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propylindole-3-carboxylic acid is sourced from PubChem (CID 53418823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).