9-hydroperoxy-9H-fluorene

C13H10O2 — CID 10104184

IUPAC9-hydroperoxy-9H-fluorene
SMILESOOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKeyBTHAEPAUPDJDIB-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.25
Rot. Bonds1

About 9-hydroperoxy-9H-fluorene

9-hydroperoxy-9H-fluorene (PubChem CID 10104184) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9-hydroperoxy-9H-fluorene.

Molecular Properties

Compound Name9-hydroperoxy-9H-fluorene
PubChem CID10104184
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name9-hydroperoxy-9H-fluorene
SMILESOOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKeyBTHAEPAUPDJDIB-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroperoxy-9H-fluorene?
The IUPAC name of 9-hydroperoxy-9H-fluorene (CID 10104184) is 9-hydroperoxy-9H-fluorene.
What is the SMILES notation for 9-hydroperoxy-9H-fluorene?
The canonical SMILES for 9-hydroperoxy-9H-fluorene is OOC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hydroperoxy-9H-fluorene?
The InChIKey is BTHAEPAUPDJDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H.
What are the key properties of 9-hydroperoxy-9H-fluorene?
9-hydroperoxy-9H-fluorene has a molecular weight of 198.22 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroperoxy-9H-fluorene is sourced from PubChem (CID 10104184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).