[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol

C16H23NO4 — CID 104565359

IUPAC[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
SMILESCOCCOCCOCCn1cc(CO)c2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-8-9-21-11-10-20-7-6-17-12-14(13-18)15-4-2-3-5-16(15)17/h2-5,12,18H,6-11,13H2,1H3
InChIKeyFWYNJPUHILTGOA-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.81
Rot. Bonds10

About [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol (PubChem CID 104565359) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
PubChem CID104565359
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
SMILESCOCCOCCOCCn1cc(CO)c2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-8-9-21-11-10-20-7-6-17-12-14(13-18)15-4-2-3-5-16(15)17/h2-5,12,18H,6-11,13H2,1H3
InChIKeyFWYNJPUHILTGOA-UHFFFAOYSA-N
XLogP1.81
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol?
The IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol (CID 104565359) is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol?
The canonical SMILES for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol is COCCOCCOCCn1cc(CO)c2ccccc21.
What is the InChIKey of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol?
The InChIKey is FWYNJPUHILTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-8-9-21-11-10-20-7-6-17-12-14(13-18)15-4-2-3-5-16(15)17/h2-5,12,18H,6-11,13H2,1H3.
What are the key properties of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol?
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol has a molecular weight of 293.36 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol is sourced from PubChem (CID 104565359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).