2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione

C17H14O4 — CID 2732543

IUPAC2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione
SMILESCc1cc(C)c(O)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14O4/c1-9-7-10(2)14(18)13(8-9)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-8,18,21H,1-2H3
InChIKeyJPWNAWMYTQWNBQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.28
Rot. Bonds1

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

2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione (PubChem CID 2732543) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione
PubChem CID2732543
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione
SMILESCc1cc(C)c(O)c(C2(O)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H14O4/c1-9-7-10(2)14(18)13(8-9)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-8,18,21H,1-2H3
InChIKeyJPWNAWMYTQWNBQ-UHFFFAOYSA-N
XLogP2.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3,5-dimethylphenyl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione (CID 2732543) is 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione is Cc1cc(C)c(O)c(C2(O)C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione?
The InChIKey is JPWNAWMYTQWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-7-10(2)14(18)13(8-9)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-8,18,21H,1-2H3.
What are the key properties of 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione?
2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione is sourced from PubChem (CID 2732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).