[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol

C15H21NO3 — CID 103411232

IUPAC[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
SMILESCOCCOCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C15H21NO3/c1-18-9-10-19-8-2-6-16-7-5-14-11-13(12-17)3-4-15(14)16/h3-5,7,11,17H,2,6,8-10,12H2,1H3
InChIKeyTWNKCJOPJVDTMS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds8

About [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol

[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol (PubChem CID 103411232) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
PubChem CID103411232
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
SMILESCOCCOCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C15H21NO3/c1-18-9-10-19-8-2-6-16-7-5-14-11-13(12-17)3-4-15(14)16/h3-5,7,11,17H,2,6,8-10,12H2,1H3
InChIKeyTWNKCJOPJVDTMS-UHFFFAOYSA-N
XLogP2.19
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
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-methoxybutyl)indol-5-yl]methanol
CID 102912647
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
(1-butylindol-5-yl)methanol
CID 102912394
1-[3-(2-methoxyethoxy)propyl]-5-nitroindole
CID 103413318
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
CID 102915452
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-(2-methoxyethyl)indol-5-ol
CID 138679498

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol?
The IUPAC name of [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol (CID 103411232) is [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol?
The canonical SMILES for [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol is COCCOCCCn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol?
The InChIKey is TWNKCJOPJVDTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-9-10-19-8-2-6-16-7-5-14-11-13(12-17)3-4-15(14)16/h3-5,7,11,17H,2,6,8-10,12H2,1H3.
What are the key properties of [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol?
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol is sourced from PubChem (CID 103411232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).