7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

C17H14Cl2O2 — CID 11652686

IUPAC7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1ccc(Cl)c2c1C1(CC2)CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C17H14Cl2O2/c18-11-1-3-13(20)15-9(11)5-7-17(15)8-6-10-12(19)2-4-14(21)16(10)17/h1-4,20-21H,5-8H2
InChIKeyDKVRZZWMRGJNGA-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.58
Rot. Bonds

About 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (PubChem CID 11652686) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.

Molecular Properties

Compound Name7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
PubChem CID11652686
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1ccc(Cl)c2c1C1(CC2)CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C17H14Cl2O2/c18-11-1-3-13(20)15-9(11)5-7-17(15)8-6-10-12(19)2-4-14(21)16(10)17/h1-4,20-21H,5-8H2
InChIKeyDKVRZZWMRGJNGA-UHFFFAOYSA-N
XLogP4.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The IUPAC name of 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (CID 11652686) is 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.
What is the SMILES notation for 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The canonical SMILES for 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is Oc1ccc(Cl)c2c1C1(CC2)CCc2c(Cl)ccc(O)c21.
What is the InChIKey of 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The InChIKey is DKVRZZWMRGJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-11-1-3-13(20)15-9(11)5-7-17(15)8-6-10-12(19)2-4-14(21)16(10)17/h1-4,20-21H,5-8H2.
What are the key properties of 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol has a molecular weight of 321.20 g/mol, XLogP of 4.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-dichloro-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is sourced from PubChem (CID 11652686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).