2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione

C17H14O6 — CID 3055004

IUPAC2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione
SMILESCOc1cc(C2(O)C(=O)c3ccccc3C2=O)cc(OC)c1O
InChIInChI=1S/C17H14O6/c1-22-12-7-9(8-13(23-2)14(12)18)17(21)15(19)10-5-3-4-6-11(10)16(17)20/h3-8,18,21H,1-2H3
InChIKeyUJCIKMLUVDRHOH-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.68
Rot. Bonds3

About 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione

2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione (PubChem CID 3055004) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione
PubChem CID3055004
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione
SMILESCOc1cc(C2(O)C(=O)c3ccccc3C2=O)cc(OC)c1O
InChIInChI=1S/C17H14O6/c1-22-12-7-9(8-13(23-2)14(12)18)17(21)15(19)10-5-3-4-6-11(10)16(17)20/h3-8,18,21H,1-2H3
InChIKeyUJCIKMLUVDRHOH-UHFFFAOYSA-N
XLogP1.68
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione (CID 3055004) is 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione is COc1cc(C2(O)C(=O)c3ccccc3C2=O)cc(OC)c1O.
What is the InChIKey of 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione?
The InChIKey is UJCIKMLUVDRHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-22-12-7-9(8-13(23-2)14(12)18)17(21)15(19)10-5-3-4-6-11(10)16(17)20/h3-8,18,21H,1-2H3.
What are the key properties of 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione?
2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione has a molecular weight of 314.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 3055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).