Chemical ID: 7107555

COc1cc(ccc1OCc2ccc(cc2)Cl)CNCCO
Chemical ID:
7107555
Name [?]:
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]ethanol
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)CNCCO
InChi [?]:
InChI=1/C17H20ClNO3/c1-21-17-10-14(11-19-8-9-20)4-7-16(17)22-12-13-2-5-15(18)6-3-13/h2-7,10,19-20H,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,6,13,15,7,20,21,4,18,10,11,5,14,8,3,17,19,22,2,9/E:(2,3)(5,6)/rA:22nCOCCCCCCOCCCCCCCClCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClNO3
All Atoms:42
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.4093
Area:559.232
Solvation:-6.5715
Coulombic:-40.8548
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.798
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.92

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue