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4-(4-Hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol

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Name

4-(4-Hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol

EINECS N/A
CAS No. 4987-89-7 Density 1.354 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C20H24O7 Boiling Point 623.7 °C at 760 mmHg
Molecular Weight 376.4004 Flash Point 331 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4987-89-7 (4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol) Hazard Symbols N/A
Synonyms

4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol;

 

4-(4-Hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol Specification

The 4-(4-Hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol, with the CAS registry number 4987-89-7, is also known as 4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol. This chemical's molecular formula is C20H24O7 and molecular weight is 376.4004. What's more, its IUPAC name is 4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol.

Physical properties about 4-(4-Hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol are: (1)ACD/LogP: 0.95; (2)#of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 64.61 Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 98.55 cm3; (9)Molar Volume: 277.8 cm3; (10)Polarizability: 39.07×10-24 cm3; (11)Surface Tension: 63.2 dyne/cm; (12)Density: 1.354 g/cm3; (13)Flash Point: 331 °C; (14)Enthalpy of Vaporization: 97.1 kJ/mol; (15)Boiling Point: 623.7 °C at 760 mmHg; (16)Vapour Pressure: 2.03E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1OC)C3c2cc(O)c(OC)cc2CC(O)(C3CO)CO
(2) InChI: InChI=1/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3
(3) InChIKey: KCIQZCNOUZCRGH-UHFFFAOYAE

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