fluorene-9,9-diol

C13H10O2 — CID 53427857

IUPACfluorene-9,9-diol
SMILESOC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14-15H
InChIKeyKQGSGUFTEMAEDC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.85
Rot. Bonds

About fluorene-9,9-diol

fluorene-9,9-diol (PubChem CID 53427857) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is fluorene-9,9-diol.

Molecular Properties

Compound Namefluorene-9,9-diol
PubChem CID53427857
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Namefluorene-9,9-diol
SMILESOC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C13H10O2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14-15H
InChIKeyKQGSGUFTEMAEDC-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluorene-9,9-diol?
The IUPAC name of fluorene-9,9-diol (CID 53427857) is fluorene-9,9-diol.
What is the SMILES notation for fluorene-9,9-diol?
The canonical SMILES for fluorene-9,9-diol is OC1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of fluorene-9,9-diol?
The InChIKey is KQGSGUFTEMAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14-15H.
What are the key properties of fluorene-9,9-diol?
fluorene-9,9-diol has a molecular weight of 198.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorene-9,9-diol is sourced from PubChem (CID 53427857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).