Chemical ID: 4571850

COc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
Chemical ID:
4571850
Name [?]:
2-[(3,4-dimethoxyphenyl)methylene]-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FO5/c1-27-20-10-5-16(11-22(20)28-2)12-23-24(26)19-9-8-18(13-21(19)30-23)29-14-15-3-6-17(25)7-4-15/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,29,5,26,28,17,16,4,7,11,19,23,24,6,27,18,15,3,20,8,12,13,30,14,2,9,22,21/E:(3,4)(6,7)/rA:30nCOCCCCCCOCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.76266
Area:623.0
Solvation:-7.81233
Coulombic:-43.445
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:4.98
LogP (Chemaxon):4.49

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Descriptor Annotations

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