2,2,3,3-tetrahydroxyinden-1-one

C9H8O5 — CID 141431232

IUPAC2,2,3,3-tetrahydroxyinden-1-one
SMILESO=C1c2ccccc2C(O)(O)C1(O)O
InChIInChI=1S/C9H8O5/c10-7-5-3-1-2-4-6(5)8(11,12)9(7,13)14/h1-4,11-14H
InChIKeyVBKFDKLOKLHIRG-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.30
Rot. Bonds

About 2,2,3,3-tetrahydroxyinden-1-one

2,2,3,3-tetrahydroxyinden-1-one (PubChem CID 141431232) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2,2,3,3-tetrahydroxyinden-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrahydroxyinden-1-one
PubChem CID141431232
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2,2,3,3-tetrahydroxyinden-1-one
SMILESO=C1c2ccccc2C(O)(O)C1(O)O
InChIInChI=1S/C9H8O5/c10-7-5-3-1-2-4-6(5)8(11,12)9(7,13)14/h1-4,11-14H
InChIKeyVBKFDKLOKLHIRG-UHFFFAOYSA-N
XLogP-1.30
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrahydroxyinden-1-one?
The IUPAC name of 2,2,3,3-tetrahydroxyinden-1-one (CID 141431232) is 2,2,3,3-tetrahydroxyinden-1-one.
What is the SMILES notation for 2,2,3,3-tetrahydroxyinden-1-one?
The canonical SMILES for 2,2,3,3-tetrahydroxyinden-1-one is O=C1c2ccccc2C(O)(O)C1(O)O.
What is the InChIKey of 2,2,3,3-tetrahydroxyinden-1-one?
The InChIKey is VBKFDKLOKLHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c10-7-5-3-1-2-4-6(5)8(11,12)9(7,13)14/h1-4,11-14H.
What are the key properties of 2,2,3,3-tetrahydroxyinden-1-one?
2,2,3,3-tetrahydroxyinden-1-one has a molecular weight of 196.16 g/mol, XLogP of -1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrahydroxyinden-1-one is sourced from PubChem (CID 141431232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).