1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propen-1-yl)- supplier

Name
2-methoxy-5-(3-phenylprop-2-en-1-yl)benzene-1,4-diol
EINECS
CAS No. 24126-85-0
Density 1.209 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₆O₃
Boiling Point 459.8 °C at 760mmHg
Molecular Weight 256.301
Flash Point 231.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propenyl)- (9CI);Hydroquinone, 2-cinnamyl-5-methoxy-(8CI);2-Cinnamyl-5-methoxyquinol;5-Cinnamyl-2-methoxyquinol;6-Cinnamyl-3-methoxyquinol;NSC 269119;
PSA
LogP

1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propen-1-yl)- Specification

The 1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propen-1-yl)- is an organic compound with the formula C₁₆H₁₆O₃. The systematic name of this chemical is 2-methoxy-5-(3-phenylprop-2-en-1-yl)benzene-1,4-diol and the CAS registry number is 24126-85-0. In addition, the formula weight is 256.29644.

The other characteristics of 1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propen-1-yl)- can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 77.07 cm³; (9)Molar Volume: 211.9 cm³; (10)Polarizability: 30.55×10^-24 cm³; (11)Surface Tension: 51.9 dyne/cm; (12)Density: 1.209 g/cm³; (13)Flash Point: 231.9 °C; (14)Enthalpy of Vaporization: 74.8 kJ/mol; (15)Boiling Point: 459.8 °C at 760 mmHg; (16)Vapour Pressure: 4.48E-09 mmHg at 25°C; (17)Rotatable Bond Count: 4; (18)Tautomer Count: 17; (19)Exact Mass: 256.109944; (20)MonoIsotopic Mass: 256.109944; (21)Topological Polar Surface Area: 49.7; (22)Heavy Atom Count: 19; (23)Complexity: 284.

People can use the following data to convert to the molecule structure.
1. SMILES:Oc1cc(c(O)cc1OC)CC=Cc2ccccc2
2. InChI:InChI=1/C16H16O3/c1-19-16-11-14(17)13(10-15(16)18)9-5-8-12-6-3-2-4-7-12/h2-8,10-11,17-18H,9H2,1H3
3. InChIKey:TYLBZWHASGWFPF-UHFFFAOYAX
4. Std. InChI:InChI=1S/C16H16O3/c1-19-16-11-14(17)13(10-15(16)18)9-5-8-12-6-3-2-4-7-12/h2-8,10-11,17-18H,9H2,1H3
5. Std. InChIKey:TYLBZWHASGWFPF-UHFFFAOYSA-N

Product Name

2-methoxy-5-(3-phenylprop-2-en-1-yl)benzene-1,4-diol

1,4-Benzenediol,2-methoxy-5-(3-phenyl-2-propen-1-yl)- Specification

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