Chemical ID: 4567846

CCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4cccc(c4)OC
Chemical ID:
4567846
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1c3c(c(c2)C)c(co3)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H20O4/c1-4-6-15-11-19(23)26-18-9-13(2)20-17(12-25-22(20)21(15)18)14-7-5-8-16(10-14)24-3/h5,7-12H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,26,2,21,3,20,22,14,24,5,17,13,19,4,23,16,9,6,12,10,11,7,25,18,8/rA:26nCCCCCCOOCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s13;s12;d16;s11s17;s16;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:9.52657
Area:537.903
Solvation:-3.92101
Coulombic:-34.5568
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:5.41
LogP (Chemaxon):5.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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