Chemical ID: 4151266

CCOc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)C(C)(C)C
Chemical ID:
4151266
Name [?]:
7-ethoxy-3-(4-tert-butylphenoxy)-chromen-4-one
SMILES [?]:
CCOc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H22O4/c1-5-23-16-10-11-17-18(12-16)24-13-19(20(17)22)25-15-8-6-14(7-9-15)21(2,3)4/h6-13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,25,2,18,20,17,21,5,6,9,11,19,16,4,7,8,12,13,22,14,3,10,15/E:(2,3,4)(6,7)(8,9)/rA:25nCCOCCCCCCOCCCOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.90267
Area:551.572
Solvation:-3.88662
Coulombic:-33.4589
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.397
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.64
LogP (Chemaxon):5.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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