Chemical ID: 4576196

CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
Chemical ID:
4576196
Name [?]:
2-[(3,4-dimethoxyphenyl)methylene]-6-ethoxy-benzofuran-3-one
SMILES [?]:
CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
InChi [?]:
InChI=1/C19H18O5/c1-4-23-13-6-7-14-16(11-13)24-18(19(14)20)10-12-5-8-15(21-2)17(9-12)22-3/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,2,14,5,6,15,18,12,9,13,4,7,16,8,17,11,23,24,21,19,3,10/rA:24nCCOCCCCCCOCCCCCCCCOCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s7s11;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.03997
Area:538.34
Solvation:-6.41854
Coulombic:-38.9242
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:326.343
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.53
LogP (Chemaxon):2.92

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Descriptor Annotations

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