Chemical ID: 4148864

COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccc(cc4)F
Chemical ID:
4148864
Name [?]:
7-[(4-fluorophenyl)methoxy]-3-(2-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccccc1c2coc3cc(ccc3c2=O)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H17FO4/c1-26-21-5-3-2-4-18(21)20-14-28-22-12-17(10-11-19(22)23(20)25)27-13-15-6-8-16(24)9-7-15/h2-12,14H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,23,27,24,26,15,16,13,21,10,22,25,14,8,17,9,3,12,18,28,19,2,20,11/E:(6,7)(8,9)/rA:28nCOCCCCCCCCOCCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.55452
Area:579.48
Solvation:-5.93247
Coulombic:-35.8721
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.377
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.24
LogP (Chemaxon):5.27

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