Chemical ID: 7048316

Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
Chemical ID:
7048316
Name [?]:
6-[(4-chlorophenyl)methoxy]-2-(p-tolylmethylene)benzofuran-3-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H17ClO3/c1-15-2-4-16(5-3-15)12-22-23(25)20-11-10-19(13-21(20)27-22)26-14-17-6-8-18(24)9-7-17/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,22,26,23,25,14,13,8,16,20,2,5,21,24,15,12,17,9,10,27,11,19,18/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCCCCCOCCCCCCOOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClO3
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6987
Area:605.206
Solvation:-3.43144
Coulombic:-28.192
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:376.832
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.32
LogP (Chemaxon):5.84

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