3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol

C19H19NO2 — CID 57052053

IUPAC3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol
SMILESOc1c(C=C2c3ccccc3NC2O)ccc2c1CCCC2
InChIInChI=1S/C19H19NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h3-4,7-11,19-22H,1-2,5-6H2
InChIKeyIOQMASXYVWDAOW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.56
Rot. Bonds1

About 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol

3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol (PubChem CID 57052053) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol.

Molecular Properties

Compound Name3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol
PubChem CID57052053
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol
SMILESOc1c(C=C2c3ccccc3NC2O)ccc2c1CCCC2
InChIInChI=1S/C19H19NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h3-4,7-11,19-22H,1-2,5-6H2
InChIKeyIOQMASXYVWDAOW-UHFFFAOYSA-N
XLogP3.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol?
The IUPAC name of 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol (CID 57052053) is 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol.
What is the SMILES notation for 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol?
The canonical SMILES for 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol is Oc1c(C=C2c3ccccc3NC2O)ccc2c1CCCC2.
What is the InChIKey of 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol?
The InChIKey is IOQMASXYVWDAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h3-4,7-11,19-22H,1-2,5-6H2.
What are the key properties of 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol?
3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol has a molecular weight of 293.37 g/mol, XLogP of 3.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1,2-dihydroindol-2-ol is sourced from PubChem (CID 57052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).