Chemical ID: 5270461

COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
Chemical ID:
5270461
Name [?]:
2-[(2,4-dimethoxyphenyl)methylene]-6-[(2-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
InChi [?]:
InChI=1/C24H19FO5/c1-27-17-8-7-15(21(12-17)28-2)11-23-24(26)19-10-9-18(13-22(19)30-23)29-14-16-5-3-4-6-20(16)25/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,26,27,25,28,5,4,17,16,11,8,19,23,6,24,3,18,15,29,7,20,12,13,30,14,2,9,22,21/rA:30nCOCCCCCCOCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.67094
Area:618.229
Solvation:-5.78477
Coulombic:-45.0699
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:406.403
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.25
LogP (Chemaxon):4.49

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Descriptor Annotations

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