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