Chemical ID: 4287115

CCOc1ccc(cc1)C(=O)C=Cc2ccc(cc2)C(=O)OC
Chemical ID:
4287115
Name [?]:
methyl 4-[3-(4-ethoxyphenyl)-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)C=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C19H18O4/c1-3-23-17-11-9-15(10-12-17)18(20)13-6-14-4-7-16(8-5-14)19(21)22-2/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,15,19,13,16,18,6,8,5,9,12,14,7,17,4,10,20,11,21,22,3/E:(4,5)(7,8)(9,10)(11,12)/rA:23nCCOCCCCCCCOCCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.23961
Area:534.629
Solvation:-4.1261
Coulombic:-37.193
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:310.344
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):3.65

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