2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol

C20H20N2O2 — CID 86024266

IUPAC2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
SMILESOCCc1c(-c2[nH]c3ccccc3c2CCO)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c23-11-9-15-13-5-1-3-7-17(13)21-19(15)20-16(10-12-24)14-6-2-4-8-18(14)22-20/h1-8,21-24H,9-12H2
InChIKeyJUMMJYRLZZFGGG-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds5

About 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol

2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol (PubChem CID 86024266) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
PubChem CID86024266
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
SMILESOCCc1c(-c2[nH]c3ccccc3c2CCO)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O2/c23-11-9-15-13-5-1-3-7-17(13)21-19(15)20-16(10-12-24)14-6-2-4-8-18(14)22-20/h1-8,21-24H,9-12H2
InChIKeyJUMMJYRLZZFGGG-UHFFFAOYSA-N
XLogP3.39
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid
CID 146026570
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
CID 69323264
3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
CID 131863122
CID 131863122
9H-carbazole
CID 66668984
3-(2-hydroxyethyl)-4-methyl-6H-pyrano[3,2-c]quinoline-2,5-dione
CID 10802052
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
3-ethyl-2-propyl-1H-indole
CID 65335384
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol (CID 86024266) is 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol is OCCc1c(-c2[nH]c3ccccc3c2CCO)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol?
The InChIKey is JUMMJYRLZZFGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-11-9-15-13-5-1-3-7-17(13)21-19(15)20-16(10-12-24)14-6-2-4-8-18(14)22-20/h1-8,21-24H,9-12H2.
What are the key properties of 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol?
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol has a molecular weight of 320.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol is sourced from PubChem (CID 86024266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).