Chemical ID: 5283115

CC(C)(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC
Chemical ID:
5283115
Name [?]:
6-methoxy-2-[(4-tert-butylphenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C20H20O3/c1-20(2,3)14-7-5-13(6-8-14)11-18-19(21)16-10-9-15(22-4)12-17(16)23-18/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,23,7,9,6,10,17,16,11,19,8,5,18,15,20,12,13,2,14,22,21/E:(1,2,3)(5,6)(7,8)/rA:23nCCCCCCCCCCCCCOCCCCCCOOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.5072
Area:510.023
Solvation:-3.24338
Coulombic:-26.6248
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:308.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.36
LogP (Chemaxon):4.71

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Descriptor Annotations

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