Chemical ID: 4732683

COc1cccc(c1)C=CC(=O)c2ccccc2OCc3ccccc3
Chemical ID:
4732683
Name [?]:
1-(2-benzyloxyphenyl)-3-(3-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1cccc(c1)C=CC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C23H20O3/c1-25-20-11-7-10-18(16-20)14-15-22(24)21-12-5-6-13-23(21)26-17-19-8-3-2-4-9-19/h2-16H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,15,16,5,22,26,6,4,14,17,9,10,8,20,7,21,3,13,11,18,12,2,19/E:(3,4)(8,9)/rA:26nCOCCCCCCCCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.42332
Area:548.514
Solvation:-6.28953
Coulombic:-24.687
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:344.403
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.39
LogP (Chemaxon):5.28

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