1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid

C15H19NO4 — CID 103180658

IUPAC1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
SMILESCOCCCOCCn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO4/c1-19-9-3-10-20-11-8-16-7-6-12-4-2-5-13(14(12)16)15(17)18/h2,4-7H,3,8-11H2,1H3,(H,17,18)
InChIKeyQIGCKHXHRVIVDR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid

1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid (PubChem CID 103180658) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
PubChem CID103180658
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
SMILESCOCCCOCCn1ccc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO4/c1-19-9-3-10-20-11-8-16-7-6-12-4-2-5-13(14(12)16)15(17)18/h2,4-7H,3,8-11H2,1H3,(H,17,18)
InChIKeyQIGCKHXHRVIVDR-UHFFFAOYSA-N
XLogP2.39
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
CID 102911584
1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
CID 58306743
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-7-carboxylic acid
CID 70163739
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364
7-chloro-1-(4-methoxybutyl)indole
CID 103475434
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
methyl 1-[2-(methylamino)ethyl]indole-7-carboxylate
CID 70935780
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
2-ethyl-3-(4-methoxybutyl)benzimidazole-4-carboxylic acid
CID 115933172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid (CID 103180658) is 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid is COCCCOCCn1ccc2cccc(C(=O)O)c21.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid?
The InChIKey is QIGCKHXHRVIVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-9-3-10-20-11-8-16-7-6-12-4-2-5-13(14(12)16)15(17)18/h2,4-7H,3,8-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid?
1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid is sourced from PubChem (CID 103180658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).