Chemical Properties of 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-

InChI

InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H

InChI Key

IQPNAANSBPBGFQ-UHFFFAOYSA-N

Formula

C15H10O6

SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Molecular Weight¹

286.24

Other Names

• 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone
• 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
• 5,7,3',4'-tetrahydroxyflavone
• Digitoflavone
• Flacitran
• Flavone, 3',4',5,7-tetrahydroxy-
• Luteolin
• Weld Lake
• luteoline

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	2.282		Crippen Calculated Property
McVol	190.450	ml/mol	McGowan Calculated Property
Tfus	[601.00; 610.58]	K
Tfus	610.53	K	Measurement and correlation of the solubilities of luteolin and rutin in five imidazole-based ionic liquids
Tfus	601.00	K	Measurement and Correlation of Solubilities of Luteolin in Organic Solvents at Different Temperatures
Tfus	610.58	K	Solubility of Luteolin in Ethanol + Water Mixed Solvents at Different Temperatures

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-.

Mixtures

• Ethanol + Water + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• Methyl Alcohol + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• Ethanol + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• 1-Propanol + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• 2-Propanol + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• 1-Butanol + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• Acetone + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• n-Hexane + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
• Dimethyl Sulfoxide + 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Measurement and correlation of the solubilities of luteolin and rutin in five imidazole-based ionic liquids
• Measurement and Correlation of Solubilities of Luteolin in Organic Solvents at Different Temperatures
• Solubility of Luteolin in Ethanol + Water Mixed Solvents at Different Temperatures
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.