Chemical ID: 7048358

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
Chemical ID:
7048358
Name [?]:
6-[(2,4-dichlorophenyl)methoxy]-2-[(4-ethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C24H18Cl2O4/c1-2-28-18-7-3-15(4-8-18)11-23-24(27)20-10-9-19(13-22(20)30-23)29-14-16-5-6-17(25)12-21(16)26/h3-13H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,24,25,5,9,16,15,10,27,18,22,7,23,26,4,17,14,28,19,11,12,30,29,13,3,21,20/E:(3,4)(7,8)/rA:30nCCOCCCCCCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2O4
All Atoms:48
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.9049
Area:681.705
Solvation:-4.13771
Coulombic:-35.3931
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:441.303
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.84
LogP (Chemaxon):5.98

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Descriptor Annotations

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