Chemical ID: 4555023

COc1ccc(cc1)C=CC(=O)c2ccc(cc2OC)OC
Chemical ID:
4555023
Name [?]:
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C=CC(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,5,7,9,4,8,15,14,10,17,6,3,16,13,11,18,12,2,21,19/E:(4,5)(7,8)/rA:22nCOCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.50579
Area:494.485
Solvation:-6.85633
Coulombic:-28.9111
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:298.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.59
LogP (Chemaxon):3.25

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