Chemical ID: 7048515

COc1ccc(cc1)C(=O)COc2ccc3c(c2)OC(=Cc4ccc(cc4)Cl)C3=O
Chemical ID:
7048515
Name [?]:
2-[(4-chlorophenyl)methylene]-6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-benzofuran-3-one
SMILES [?]:
COc1ccc(cc1)C(=O)COc2ccc3c(c2)OC(=Cc4ccc(cc4)Cl)C3=O
InChi [?]:
InChI=1/C24H17ClO5/c1-28-18-8-4-16(5-9-18)21(26)14-29-19-10-11-20-22(13-19)30-23(24(20)27)12-15-2-6-17(25)7-3-15/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,27,5,7,24,26,4,8,14,15,21,18,11,22,6,25,3,13,16,9,17,20,29,28,10,30,2,12,19/E:(2,3)(4,5)(6,7)(8,9)/rA:30nCOCCCCCCCOCOCCCCCCOCCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s25;s16s20;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17ClO5
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.98053
Area:659.293
Solvation:-6.50179
Coulombic:-41.0785
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:420.841
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.41
LogP (Chemaxon):4.41

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Descriptor Annotations

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