[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol

C23H18Br2O2 — CID 102052844

IUPAC[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol
SMILESOCc1cc2c(cc1CO)CC1(C2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C23H18Br2O2/c24-17-1-3-19-20-4-2-18(25)8-22(20)23(21(19)7-17)9-13-5-15(11-26)16(12-27)6-14(13)10-23/h1-8,26-27H,9-12H2
InChIKeyZDDXKFQIARGXCO-UHFFFAOYSA-N
MW486.20 g/mol
LogP5.26
Rot. Bonds2

About [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol

[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol (PubChem CID 102052844) has the molecular formula C23H18Br2O2 and a molecular weight of 486.20 g/mol. Its IUPAC name is [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol.

Molecular Properties

Compound Name[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol
PubChem CID102052844
Molecular FormulaC23H18Br2O2
Molecular Weight486.20 g/mol
Exact Mass483.97
IUPAC Name[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol
SMILESOCc1cc2c(cc1CO)CC1(C2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C23H18Br2O2/c24-17-1-3-19-20-4-2-18(25)8-22(20)23(21(19)7-17)9-13-5-15(11-26)16(12-27)6-14(13)10-23/h1-8,26-27H,9-12H2
InChIKeyZDDXKFQIARGXCO-UHFFFAOYSA-N
XLogP5.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.20
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol?
The IUPAC name of [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol (CID 102052844) is [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol.
What is the SMILES notation for [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol?
The canonical SMILES for [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol is OCc1cc2c(cc1CO)CC1(C2)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol?
The InChIKey is ZDDXKFQIARGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Br2O2/c24-17-1-3-19-20-4-2-18(25)8-22(20)23(21(19)7-17)9-13-5-15(11-26)16(12-27)6-14(13)10-23/h1-8,26-27H,9-12H2.
What are the key properties of [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol?
[2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol has a molecular weight of 486.20 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2',7'-dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol is sourced from PubChem (CID 102052844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).