Chemical ID: 4568974

COc1ccc2c(c1)OC(=Cc3ccc(cc3OC)OC)C2=O
Chemical ID:
4568974
Name [?]:
2-[(2,4-dimethoxyphenyl)methylene]-6-methoxy-benzofuran-3-one
SMILES [?]:
COc1ccc2c(c1)OC(=Cc3ccc(cc3OC)OC)C2=O
InChi [?]:
InChI=1/C18H16O5/c1-20-12-5-4-11(15(9-12)22-3)8-17-18(19)14-7-6-13(21-2)10-16(14)23-17/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:21,1,19,13,14,4,5,11,16,8,12,15,3,6,17,7,10,22,23,20,2,18,9/rA:23nCOCCCCCCOCCCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s6s10;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.59137
Area:513.389
Solvation:-5.24335
Coulombic:-39.3545
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:312.317
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.38
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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