Chemical ID: 7048354

CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
Chemical ID:
7048354
Name [?]:
6-[(2,4-dichlorophenyl)methoxy]-2-[(4-isopropylphenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C25H20Cl2O3/c1-15(2)17-5-3-16(4-6-17)11-24-25(28)21-10-9-20(13-23(21)30-24)29-14-18-7-8-19(26)12-22(18)27/h3-13,15H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,8,5,9,24,25,16,15,10,27,18,22,2,7,4,23,26,17,14,28,19,11,12,30,29,13,21,20/E:(1,2)(3,4)(5,6)/rA:30nCCCCCCCCCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;s2;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:C25H20Cl2O3
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.0903
Area:680.906
Solvation:-2.93234
Coulombic:-29.2734
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:439.33
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.91
LogP (Chemaxon):7.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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