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Chemical ID: 4208333
Chemical ID:
4208333
Name [?]:
7-hydroxy-2-methyl-3-(2-naphthyloxy)chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)O)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C20H14O4/c1-12-20(19(22)17-9-7-15(21)11-18(17)23-12)24-16-8-6-13-4-2-3-5-14(13)10-16/h2-11,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,17,8,16,7,24,10,2,18,23,9,15,6,11,4,3,13,5,12,14/rA:24nCCCCOCCCCCCOOOCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s3;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74969 |
Area: | 494.879 |
Solvation: | -3.62228 |
Coulombic: | -41.8973 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 318.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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