Chemical ID: 7343184

Cc1c(ccc2c1OC(=Cc3ccc(c(c3)OC)OC)C2=O)OC
Chemical ID:
7343184
Name [?]:
2-[(3,4-dimethoxyphenyl)methylene]-6-methoxy-7-methyl-benzofuran-3-one
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3ccc(c(c3)OC)OC)C2=O)OC
InChi [?]:
InChI=1/C19H18O5/c1-11-14(21-2)8-6-13-18(20)17(24-19(11)13)10-12-5-7-15(22-3)16(9-12)23-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,18,12,5,13,4,16,10,2,11,6,3,14,15,9,21,7,22,23,19,17,8/rA:24nCCCCCCCOCCCCCCCCOCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s6s9;d21;s3;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O5
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.63306
Area:523.34
Solvation:-6.45043
Coulombic:-38.8206
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:326.343
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):3.04

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Descriptor Annotations

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