Chemical Properties of 5-Hydroxy-3',4',6,7-tetramethoxyflavanone (CAS 98007-03-5)

5-Hydroxy-3',4',6,7-tetramethoxyflavanone

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InChI
InChI=1S/C19H20O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-7,9,13,21H,8H2,1-4H3
InChI Key
SUPFYYVLYHYYGM-UHFFFAOYSA-N
Formula
C19H20O7
SMILES
COc1ccc(C2CC(=O)c3c(O)c(OC)c(OC)cc3O2)cc1OC
Molecular Weight1
360.36
CAS
98007-03-5
Sources

Physical Properties

Property Value Unit Source
Δf -448.91 kJ/mol Joback Calculated Property
Δfgas -929.03 kJ/mol Joback Calculated Property
Δfus 45.16 kJ/mol Joback Calculated Property
Δvap 97.25 kJ/mol Joback Calculated Property
logPoct/wat 3.13 Crippen Calculated Property
Pc 2079.33 kPa Joback Calculated Property
Tboil 988.46 K Joback Calculated Property
Tc 1234.65 K Joback Calculated Property
Tfus 729.18 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 840.32 J/mol×K 988.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 4
-O- (ring) 1
-CH3 4
=CH- (ring) 4
=C< (ring) 8
>C=O (ring) 1
>CH- (ring) 1
-OH (phenol) 1
-CH2- (ring) 1

Similar Compounds

3',4',5,6,7-Pentamethoxyflavanone. 5,6,7,4'-Tetramethoxyflavanone. Flavanone, 5-hydroxy-3',4',6,7,8-pentamethoxy-. Dihydrooroxylin A. 5,6,7,8,3',4'-Hexamethoxyflavanone. Flavanone, 4',5,6,7,8-pentamethoxy-. Hesperetin. 5-Hydroxy-4',7-dimethoxyflavanone. 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-. (S)-2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone. 5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one. 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-. Naringenin. 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-. Hesperetin, TMS.

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