2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione

C15H12O5 — CID 671255

IUPAC2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione
SMILESO=C1CCCC(O)=C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,16,20H,3,6-7H2
InChIKeyRMAGDFXJKGUTNB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.36
Rot. Bonds1

About 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione

2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione (PubChem CID 671255) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione
PubChem CID671255
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione
SMILESO=C1CCCC(O)=C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,16,20H,3,6-7H2
InChIKeyRMAGDFXJKGUTNB-UHFFFAOYSA-N
XLogP1.36
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione (CID 671255) is 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione is O=C1CCCC(O)=C1C1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione?
The InChIKey is RMAGDFXJKGUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,16,20H,3,6-7H2.
What are the key properties of 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione?
2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione has a molecular weight of 272.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)indene-1,3-dione is sourced from PubChem (CID 671255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).