Chemical ID: 4567917

CCCc1cc(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC
Chemical ID:
4567917
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H20O4/c1-4-6-14-10-20(23)26-22-13(2)21-18(11-17(14)22)19(12-25-21)15-7-5-8-16(9-15)24-3/h5,7-12H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,26,2,21,3,20,22,24,5,11,14,17,4,19,23,10,12,13,6,16,9,7,25,15,8/rA:26nCCCCCCOOCCCCCCOCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;s12;d13;s14;d12s15;d9s16;s17;s13;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.54079
Area:553.275
Solvation:-4.29108
Coulombic:-34.2156
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.392
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.2
LogP (Chemaxon):5.85

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Experimental Annotations

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Descriptor Annotations

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