Chemical ID: 7048086

CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4
Chemical ID:
7048086
Name [?]:
[2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4
InChi [?]:
InChI=1/C22H20O4/c1-13(2)15-5-3-14(4-6-15)11-20-21(23)18-10-9-17(12-19(18)26-20)25-22(24)16-7-8-16/h3-6,9-13,16H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,8,5,9,25,26,16,15,10,18,2,7,4,24,17,14,19,11,12,22,13,23,21,20/E:(1,2)(3,4)(5,6)(7,8)/rA:26nCCCCCCCCCCCCOCCCCCCOOCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O4
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.898
Area:584.51
Solvation:-2.71475
Coulombic:-37.4394
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:348.392
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):4.71

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