Chemical ID: 4169537

Cc1cc(nc(n1)c2ccccc2O)OCc3ccc(cc3)F
Chemical ID:
4169537
Name [?]:
2-[4-[(4-fluorophenyl)methoxy]-6-methyl-pyrimidin-2-yl]phenol
SMILES [?]:
Cc1cc(nc(n1)c2ccccc2O)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C18H15FN2O2/c1-12-10-17(23-11-13-6-8-14(19)9-7-13)21-18(20-12)15-4-2-3-5-16(15)22/h2-10,22H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,18,22,19,21,3,16,2,17,20,8,13,4,6,23,7,5,14,15/E:(6,7)(8,9)/rA:23nCCCCNCNCCCCCCOOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s4;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.8638
Area:499.281
Solvation:-3.61822
Coulombic:-41.4706
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.322
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):4.2

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