5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

C17H14Br2O2 — CID 53306803

IUPAC5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(Br)ccc2c1C1(CC2)CCc2ccc(Br)c(O)c21
InChIInChI=1S/C17H14Br2O2/c18-11-3-1-9-5-7-17(13(9)15(11)20)8-6-10-2-4-12(19)16(21)14(10)17/h1-4,20-21H,5-8H2
InChIKeyYTOISZRZBCJFLO-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.80
Rot. Bonds

About 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (PubChem CID 53306803) has the molecular formula C17H14Br2O2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.

Molecular Properties

Compound Name5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
PubChem CID53306803
Molecular FormulaC17H14Br2O2
Molecular Weight410.11 g/mol
Exact Mass407.94
IUPAC Name5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(Br)ccc2c1C1(CC2)CCc2ccc(Br)c(O)c21
InChIInChI=1S/C17H14Br2O2/c18-11-3-1-9-5-7-17(13(9)15(11)20)8-6-10-2-4-12(19)16(21)14(10)17/h1-4,20-21H,5-8H2
InChIKeyYTOISZRZBCJFLO-UHFFFAOYSA-N
XLogP4.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The IUPAC name of 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (CID 53306803) is 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.
What is the SMILES notation for 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The canonical SMILES for 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is Oc1c(Br)ccc2c1C1(CC2)CCc2ccc(Br)c(O)c21.
What is the InChIKey of 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The InChIKey is YTOISZRZBCJFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O2/c18-11-3-1-9-5-7-17(13(9)15(11)20)8-6-10-2-4-12(19)16(21)14(10)17/h1-4,20-21H,5-8H2.
What are the key properties of 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol has a molecular weight of 410.11 g/mol, XLogP of 4.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is sourced from PubChem (CID 53306803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).