Chemical ID: 6847020

CCC(=O)Oc1c(=O)c2cc(cc(c2oc1c3ccc(cc3)OC)C)C
Chemical ID:
6847020
Name [?]:
[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] propanoate
SMILES [?]:
CCC(=O)Oc1c(=O)c2cc(cc(c2oc1c3ccc(cc3)OC)C)C
InChi [?]:
InChI=1/C21H20O5/c1-5-17(22)25-21-18(23)16-11-12(2)10-13(3)19(16)26-20(21)14-6-8-15(24-4)9-7-14/h6-11H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,25,24,2,18,22,19,21,12,10,11,13,17,20,9,3,7,14,16,6,4,8,23,5,15/E:(6,7)(8,9)/rA:26nCCCOOCCOCCCCCCOCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.037
Area:556.959
Solvation:-3.88701
Coulombic:-43.6681
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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