1(2H)-Naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-2-hydroxy-, (2R-trans)- (9CI) (124345-10-4)

The 4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one, with CAS registry number 124345-10-4, belongs to the following product category: Metabolites. It has the systematic name of 4-(3,4-dichlorophenyl)-2-hydroxy-tetralin-1-one. And this chemical is a kind of dark orange oil.

Physical properties of 4-(3,4-Dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å²; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 78.99 cm³; (11)Molar Volume: 217.8 cm³; (12)Polarizability: 31.31×10^-24cm³; (13)Surface Tension: 57.1 dyne/cm; (14)Enthalpy of Vaporization: 74.83 kJ/mol; (15)Vapour Pressure: 6.31E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(CC(C2=O)O)c3ccc(c(c3)Cl)Cl
(2)InChI: InChI=1/C16H12Cl2O2/c17-13-6-5-9(7-14(13)18)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-7,12,15,19H,8H2
(3)InChIKey: KVZFTTORFMNPDL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H12Cl2O2/c17-13-6-5-9(7-14(13)18)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-7,12,15,19H,8H2
(5)Std. InChIKey: KVZFTTORFMNPDL-UHFFFAOYSA-N