2-hydroxyindene-1,3-dione

C9H6O3 — CID 10219583

IUPAC2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1O
InChIInChI=1S/C9H6O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,9,12H
InChIKeyDPEWQCSRYACFPV-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.43
Rot. Bonds

About 2-hydroxyindene-1,3-dione

2-hydroxyindene-1,3-dione (PubChem CID 10219583) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-hydroxyindene-1,3-dione
PubChem CID10219583
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1O
InChIInChI=1S/C9H6O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,9,12H
InChIKeyDPEWQCSRYACFPV-UHFFFAOYSA-N
XLogP0.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyindene-1,3-dione?
The IUPAC name of 2-hydroxyindene-1,3-dione (CID 10219583) is 2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-hydroxyindene-1,3-dione is O=C1c2ccccc2C(=O)C1O.
What is the InChIKey of 2-hydroxyindene-1,3-dione?
The InChIKey is DPEWQCSRYACFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,9,12H.
What are the key properties of 2-hydroxyindene-1,3-dione?
2-hydroxyindene-1,3-dione has a molecular weight of 162.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyindene-1,3-dione is sourced from PubChem (CID 10219583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).