Chemical ID: 6879782

CCCCOc1c(=O)c2cc(ccc2oc1c3ccco3)C
Chemical ID:
6879782
Name [?]:
3-butoxy-2-(2-furyl)-6-methyl-chromen-4-one
SMILES [?]:
CCCCOc1c(=O)c2cc(ccc2oc1c3ccco3)C
InChi [?]:
InChI=1/C18H18O4/c1-3-4-9-21-18-16(19)13-11-12(2)7-8-14(13)22-17(18)15-6-5-10-20-15/h5-8,10-11H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,3,19,18,12,13,4,20,10,11,9,14,17,7,16,6,8,21,5,15/rA:22nCCCCOCCOCCCCCCOCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;d17;s18;d19;s17s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O4
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.86204
Area:498.34
Solvation:-3.59646
Coulombic:-33.7485
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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