[1-(4-methoxybutyl)indol-5-yl]methanol

C14H19NO2 — CID 102912647

IUPAC[1-(4-methoxybutyl)indol-5-yl]methanol
SMILESCOCCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C14H19NO2/c1-17-9-3-2-7-15-8-6-13-10-12(11-16)4-5-14(13)15/h4-6,8,10,16H,2-3,7,9,11H2,1H3
InChIKeyZTGXJIAGGJUCET-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds6

About [1-(4-methoxybutyl)indol-5-yl]methanol

[1-(4-methoxybutyl)indol-5-yl]methanol (PubChem CID 102912647) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(4-methoxybutyl)indol-5-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxybutyl)indol-5-yl]methanol
PubChem CID102912647
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-(4-methoxybutyl)indol-5-yl]methanol
SMILESCOCCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C14H19NO2/c1-17-9-3-2-7-15-8-6-13-10-12(11-16)4-5-14(13)15/h4-6,8,10,16H,2-3,7,9,11H2,1H3
InChIKeyZTGXJIAGGJUCET-UHFFFAOYSA-N
XLogP2.56
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-methoxybutyl)indol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
(1-butylindol-5-yl)methanol
CID 102912394
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-(2-methoxyethyl)indol-5-ol
CID 138679498
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutyl)indol-5-yl]methanol?
The IUPAC name of [1-(4-methoxybutyl)indol-5-yl]methanol (CID 102912647) is [1-(4-methoxybutyl)indol-5-yl]methanol.
What is the SMILES notation for [1-(4-methoxybutyl)indol-5-yl]methanol?
The canonical SMILES for [1-(4-methoxybutyl)indol-5-yl]methanol is COCCCCn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-(4-methoxybutyl)indol-5-yl]methanol?
The InChIKey is ZTGXJIAGGJUCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-9-3-2-7-15-8-6-13-10-12(11-16)4-5-14(13)15/h4-6,8,10,16H,2-3,7,9,11H2,1H3.
What are the key properties of [1-(4-methoxybutyl)indol-5-yl]methanol?
[1-(4-methoxybutyl)indol-5-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutyl)indol-5-yl]methanol is sourced from PubChem (CID 102912647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).