spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol

C17H18O2 — CID 68582364

IUPACspiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol
SMILESOC1(O)C=CC=C2CCC3(CCc4ccccc43)C21
InChIInChI=1S/C17H18O2/c18-17(19)9-3-5-13-8-11-16(15(13)17)10-7-12-4-1-2-6-14(12)16/h1-6,9,15,18-19H,7-8,10-11H2
InChIKeyORDVGZHQNLSBLG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds

About spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol

spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol (PubChem CID 68582364) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol
PubChem CID68582364
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namespiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol
SMILESOC1(O)C=CC=C2CCC3(CCc4ccccc43)C21
InChIInChI=1S/C17H18O2/c18-17(19)9-3-5-13-8-11-16(15(13)17)10-7-12-4-1-2-6-14(12)16/h1-6,9,15,18-19H,7-8,10-11H2
InChIKeyORDVGZHQNLSBLG-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol?
The IUPAC name of spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol (CID 68582364) is spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol.
What is the SMILES notation for spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol?
The canonical SMILES for spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol is OC1(O)C=CC=C2CCC3(CCc4ccccc43)C21.
What is the InChIKey of spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol?
The InChIKey is ORDVGZHQNLSBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19)9-3-5-13-8-11-16(15(13)17)10-7-12-4-1-2-6-14(12)16/h1-6,9,15,18-19H,7-8,10-11H2.
What are the key properties of spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol?
spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol has a molecular weight of 254.33 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,3'-2,3a-dihydro-1H-indene]-4',4'-diol is sourced from PubChem (CID 68582364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).