Chemical ID: 7040412

Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4cccc(c4)C=CC(=O)c5ccccc5
Chemical ID:
7040412
Name [?]:
[3-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 5-benzyloxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4cccc(c4)C=CC(=O)c5ccccc5
InChi [?]:
InChI=1/C32H24O5/c1-22-31(28-20-26(16-18-30(28)36-22)35-21-24-9-4-2-5-10-24)32(34)37-27-14-8-11-23(19-27)15-17-29(33)25-12-6-3-7-13-25/h2-20H,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,35,15,17,34,36,24,14,18,25,33,37,23,28,7,29,8,27,5,12,2,26,13,32,6,22,4,30,9,3,19,31,20,11,10,21/E:(4,5)(6,7)(9,10)(12,13)/rA:37nCCCCCCCCCOOCCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s3;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;w28;s29;d30;s30;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H24O5
All Atoms:61
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.3919
Area:786.117
Solvation:-5.26102
Coulombic:-46.4463
Bond Count [?]
All:41
Single:25
Double:16
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:488.53
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.17
LogP (Chemaxon):7.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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