methyl 2-[2-(2,4-dichlorophenyl)ethyl]-6-methoxybenzoate

methyl 2-[2-(2,4-dichlorophenyl)ethyl]-6-methoxybenzoate

CAS: 1171924-91-6

Formula: C17H16Cl2O3

SMILES: COC(=O)C1=C(CCC2=C(Cl)C=C(Cl)C=C2)C=CC=C1OC

IUPAC: methyl 2-[2-(2,4-dichlorophenyl)ethyl]-6-methoxybenzoate

InChI: InChI=1S/C17H16Cl2O3/c1-21-15-5-3-4-12(16(15)17(20)22-2)7-6-11-8-9-13(18)10-14(11)19/h3-5,8-10H,6-7H2,1-2H3

Composition: C (60.19%), H (4.75%), Cl (20.90%), O (14.15%)

Molar Mass: 339.21

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	338.0476498
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RQEFUYGEENXSCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	88.49
Topological Polar Surface Area	35.53
Polarizability	34.15
Ring Count	2
Rotatable Bond Count	6

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