Basic information
- Name:
5-[2-(4-Hydroxyphenyl)ethyl]benzene-1,3-diol
- CAS No.:
58436-28-5
- Molecular Structure:
![Molecular Structure of 58436-28-5 (5-[2-(4-Hydroxyphenyl)ethyl]benzene-1,3-diol)](http://www.lookchem.com/300w/19/185914.png)
- Formula:
- C14H14O3
- Molecular Weight:
- 230.262
- Synonyms:
- Dihydroresveratrol;
- Density:
- 1.291 g/cm3
- Boiling Point:
- 430.3 °C at 760 mmHg
- Flash Point:
- 210.9 °C
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Specification
This chemical has the systematic name 5-[2-(4-Hydroxyphenyl)ethyl]benzene-1,3-diol, and it's also known as 1,3-benzenediol, 5-[2-(4-hydroxyphenyl)ethyl]-. Its molecular formula is C14H14O3 and its molecular weight is 230.262. Additionally, its CAS registry number is 58436-28-5.
Other characteristics of the 5-[2-(4-Hydroxyphenyl)ethyl]benzene-1,3-diol can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 47.22; (6)ACD/BCF (pH 7.4): 46.77; (7)ACD/KOC (pH 5.5): 549.5; (8)ACD/KOC (pH 7.4): 544.17; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 65.93 cm3; (15)Molar Volume: 178.2 cm3; (16)Polarizability: 26.13×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 210.9 °C; (20)Enthalpy of Vaporization: 71.22 kJ/mol; (21)Boiling Point: 430.3 °C at 760 mmHg; (22)Vapour Pressure: 5.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1cc(cc(O)c1)CCc2ccc(O)cc2
2.InChI: InChI=1/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
3.InChIKey: HITJFUSPLYBJPE-UHFFFAOYAG
