Chemical ID: 5756312

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cc(ccc3OC)Br
Chemical ID:
5756312
Name [?]:
[4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cc(ccc3OC)Br
InChi [?]:
InChI=1/C24H19BrO4/c1-16-3-5-18(6-4-16)24(27)29-21-11-7-17(8-12-21)22(26)13-9-19-15-20(25)10-14-23(19)28-2/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,3,7,4,6,13,15,20,24,12,16,19,25,22,2,14,5,21,23,11,17,26,8,29,18,9,27,10/E:(3,4)(5,6)(7,8)(11,12)/rA:29nCCCCCCCCOOCCCCCCCOCCCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s26;s27;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19BrO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9534
Area:640.185
Solvation:-4.05126
Coulombic:-38.2319
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:451.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.5
LogP (Chemaxon):6.25

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