9-hydroperoxy-9-methylfluorene

C14H12O2 — CID 29246

IUPAC9-hydroperoxy-9-methylfluorene
SMILESCC1(OO)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H12O2/c1-14(16-15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,15H,1H3
InChIKeyHSOVYQBHMNRGKG-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.42
Rot. Bonds1

About 9-hydroperoxy-9-methylfluorene

9-hydroperoxy-9-methylfluorene (PubChem CID 29246) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 9-hydroperoxy-9-methylfluorene.

Molecular Properties

Compound Name9-hydroperoxy-9-methylfluorene
PubChem CID29246
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name9-hydroperoxy-9-methylfluorene
SMILESCC1(OO)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H12O2/c1-14(16-15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,15H,1H3
InChIKeyHSOVYQBHMNRGKG-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.42
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-9-methylfluorene?
The IUPAC name of 9-hydroperoxy-9-methylfluorene (CID 29246) is 9-hydroperoxy-9-methylfluorene.
What is the SMILES notation for 9-hydroperoxy-9-methylfluorene?
The canonical SMILES for 9-hydroperoxy-9-methylfluorene is CC1(OO)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hydroperoxy-9-methylfluorene?
The InChIKey is HSOVYQBHMNRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-14(16-15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,15H,1H3.
What are the key properties of 9-hydroperoxy-9-methylfluorene?
9-hydroperoxy-9-methylfluorene has a molecular weight of 212.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroperoxy-9-methylfluorene is sourced from PubChem (CID 29246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).