1,4-dihydroxyfluoren-9-one

C13H8O3 — CID 611427

IUPAC1,4-dihydroxyfluoren-9-one
SMILESO=C1c2ccccc2-c2c(O)ccc(O)c21
InChIInChI=1S/C13H8O3/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h1-6,14-15H
InChIKeyHVOYPCLFJHHOLC-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.31
Rot. Bonds

About 1,4-dihydroxyfluoren-9-one

1,4-dihydroxyfluoren-9-one (PubChem CID 611427) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1,4-dihydroxyfluoren-9-one.

Molecular Properties

Compound Name1,4-dihydroxyfluoren-9-one
PubChem CID611427
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Name1,4-dihydroxyfluoren-9-one
SMILESO=C1c2ccccc2-c2c(O)ccc(O)c21
InChIInChI=1S/C13H8O3/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h1-6,14-15H
InChIKeyHVOYPCLFJHHOLC-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxyfluoren-9-one?
The IUPAC name of 1,4-dihydroxyfluoren-9-one (CID 611427) is 1,4-dihydroxyfluoren-9-one.
What is the SMILES notation for 1,4-dihydroxyfluoren-9-one?
The canonical SMILES for 1,4-dihydroxyfluoren-9-one is O=C1c2ccccc2-c2c(O)ccc(O)c21.
What is the InChIKey of 1,4-dihydroxyfluoren-9-one?
The InChIKey is HVOYPCLFJHHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-9-5-6-10(15)12-11(9)7-3-1-2-4-8(7)13(12)16/h1-6,14-15H.
What are the key properties of 1,4-dihydroxyfluoren-9-one?
1,4-dihydroxyfluoren-9-one has a molecular weight of 212.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxyfluoren-9-one is sourced from PubChem (CID 611427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).