Chemical ID: 4902454

c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)OCC(=O)c5ccc(cc5)Cl
Chemical ID:
4902454
Name [?]:
6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-[(4-phenylphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)OCC(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C29H19ClO4/c30-23-12-10-22(11-13-23)26(31)18-33-24-14-15-25-27(17-24)34-28(29(25)32)16-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-17H,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,11,8,12,29,33,30,32,19,18,13,21,25,10,4,7,28,31,20,17,26,22,14,15,34,27,16,24,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:34nCCCCCCCCCCCCCCCOCCCCCCOOCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H19ClO4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.0902
Area:717.943
Solvation:-5.85841
Coulombic:-35.9006
Bond Count [?]
All:38
Single:23
Double:15
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:466.911
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.43
LogP (Chemaxon):6.35

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