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126312-61-6

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Basic Information
CAS No.: 126312-61-6
Name: 2-iodo-1,3-dimethyl-5-(phenylmethoxy)- Benzene
Molecular Structure:
Molecular Structure of 126312-61-6 (2-iodo-1,3-dimethyl-5-(phenylmethoxy)- Benzene)
Formula: C15H15IO
Molecular Weight: 338.188
Synonyms: Benzyl-4-iod-3,5-dimethylphenylether;benzene, 2-iodo-1,3-dimethyl-5-(phenylmethoxy)-;
Density: 1.478 g/cm3
Boiling Point: 395.2 °C at 760 mmHg
Flash Point: 192.8 °C
Appearance: cream
PSA: 9.23000
LogP: 4.48700
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Specification

The 2-Iodo-1,3-dimethyl-5-(phenylmethoxy)benzene, with cas registry number 126312-61-6, belongs to the following product categories: CHIRAL CHEMICALS. It has the systematic name of 5-(benzyloxy)-2-iodo-1,3-dimethylbenzene. And its IUPAC name is 2-iodo-1,3-dimethyl-5-phenylmethoxybenzene.

Physical properties about this chemical are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20148.14; (6)ACD/BCF (pH 7.4): 20148.14; (7)ACD/KOC (pH 5.5): 41933.16; (8)ACD/KOC (pH 7.4): 41933.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 79.97 cm3; (14)Molar Volume: 228.7 cm3; (15)Polarizability: 31.7×10-24cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Enthalpy of Vaporization: 62.02 kJ/mol; (18)Vapour Pressure: 4.25E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc2cc(OCc1ccccc1)cc(C)c2I
(2)InChI: InChI=1/C15H15IO/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
(3)InChIKey: ICHZYYGVAKLSCT-UHFFFAOYAG