2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol

C17H15NO — CID 81444157

IUPAC2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol
SMILESOC1(c2ccc3[nH]ccc3c2)Cc2ccccc2C1
InChIInChI=1S/C17H15NO/c19-17(10-13-3-1-2-4-14(13)11-17)15-5-6-16-12(9-15)7-8-18-16/h1-9,18-19H,10-11H2
InChIKeyNXLIAIRNPSVOGR-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.15
Rot. Bonds1

About 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol

2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol (PubChem CID 81444157) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol
PubChem CID81444157
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol
SMILESOC1(c2ccc3[nH]ccc3c2)Cc2ccccc2C1
InChIInChI=1S/C17H15NO/c19-17(10-13-3-1-2-4-14(13)11-17)15-5-6-16-12(9-15)7-8-18-16/h1-9,18-19H,10-11H2
InChIKeyNXLIAIRNPSVOGR-UHFFFAOYSA-N
XLogP3.15
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol (CID 81444157) is 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol is OC1(c2ccc3[nH]ccc3c2)Cc2ccccc2C1.
What is the InChIKey of 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol?
The InChIKey is NXLIAIRNPSVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17(10-13-3-1-2-4-14(13)11-17)15-5-6-16-12(9-15)7-8-18-16/h1-9,18-19H,10-11H2.
What are the key properties of 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol?
2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol has a molecular weight of 249.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 81444157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).