Chemical ID: 4402754

COc1ccc(c(c1)OC(=O)c2ccccc2OC)C(=O)C=Cc3ccccc3F
Chemical ID:
4402754
Name [?]:
[2-[3-(2-fluorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 2-methoxybenzoate
SMILES [?]:
COc1ccc(c(c1)OC(=O)c2ccccc2OC)C(=O)C=Cc3ccccc3F
InChi [?]:
InChI=1/C24H19FO5/c1-28-17-12-13-18(21(26)14-11-16-7-3-5-9-20(16)25)23(15-17)30-24(27)19-8-4-6-10-22(19)29-2/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,26,14,27,15,25,13,28,16,23,4,5,22,8,24,3,6,12,29,20,17,7,10,30,21,11,2,18,9/rA:30nCOCCCCCCOCOCCCCCCOCCOCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s6;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.85675
Area:586.594
Solvation:-6.80809
Coulombic:-47.042
Bond Count [?]
All:32
Single:20
Double:12
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:406.403
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.34
LogP (Chemaxon):4.88

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