Chemical ID: 4571655

CC(=CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O)C
Chemical ID:
4571655
Name [?]:
2-[(3,4-dimethoxyphenyl)methylene]-6-(3-methylbut-2-enoxy)benzofuran-3-one
SMILES [?]:
CC(=CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O)C
InChi [?]:
InChI=1/C22H22O5/c1-14(2)9-10-26-16-6-7-17-19(13-16)27-21(22(17)23)12-15-5-8-18(24-3)20(11-15)25-4/h5-9,11-13H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,24,22,16,7,8,17,3,4,20,14,11,2,15,6,9,18,10,19,13,25,26,23,21,5,12/E:(1,2)/rA:27nCCCCOCCCCCCOCCCCCCCCOCOCCOC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;d25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.70504
Area:606.634
Solvation:-6.4608
Coulombic:-40.0749
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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