2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

C16H12N2O2 — CID 23035

IUPAC2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
SMILESOc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H
InChIKeyVIFKLIUAPGUEBV-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.73
Rot. Bonds1

About 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol

2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol (PubChem CID 23035) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol.

Molecular Properties

Compound Name2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
PubChem CID23035
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol
SMILESOc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H
InChIKeyVIFKLIUAPGUEBV-UHFFFAOYSA-N
XLogP3.73
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The IUPAC name of 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol (CID 23035) is 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol.
What is the SMILES notation for 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The canonical SMILES for 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol is Oc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12.
What is the InChIKey of 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
The InChIKey is VIFKLIUAPGUEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-20H.
What are the key properties of 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol?
2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol has a molecular weight of 264.28 g/mol, XLogP of 3.73, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1H-indol-2-yl)-1H-indol-3-ol is sourced from PubChem (CID 23035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).