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

C16H14N2O — CID 57128043

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H14N2O/c19-16-15(12-3-1-2-4-14(12)18-16)11-5-6-13-10(9-11)7-8-17-13/h1-6,9,17-19H,7-8H2
InChIKeyIBUIERNBVBXSFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.51
Rot. Bonds1

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

3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol (PubChem CID 57128043) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol
PubChem CID57128043
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H14N2O/c19-16-15(12-3-1-2-4-14(12)18-16)11-5-6-13-10(9-11)7-8-17-13/h1-6,9,17-19H,7-8H2
InChIKeyIBUIERNBVBXSFK-UHFFFAOYSA-N
XLogP3.51
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-HT
CID 1574
Indirubin-3'-monoxime
CID 3707
2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
CID 1508
6-Hydroxy-1,2,3,4-tetrahydro-beta-carboline
CID 159959
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol
CID 5209
2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 447476
2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9949886
4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
Indirubin deriv. 8h
CID 135434954
Indirubin deriv. 9b
CID 135434955

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol (CID 57128043) is 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1-c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol?
The InChIKey is IBUIERNBVBXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-15(12-3-1-2-4-14(12)18-16)11-5-6-13-10(9-11)7-8-17-13/h1-6,9,17-19H,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol?
3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol has a molecular weight of 250.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol is sourced from PubChem (CID 57128043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).