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Chemical ID: 6620685
Chemical ID:
6620685
Name [?]:
2-(4-benzyloxyphenyl)-3-hydroxy-chroman-4-one
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C3C(C(=O)c4ccccc4O3)O
InChi [?]:
InChI=1/C22H18O4/c23-20-18-8-4-5-9-19(18)26-22(21(20)24)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13,21-22,24H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,11,13,10,14,7,4,12,9,19,24,17,16,15,18,26,8,25/E:(2,3)(6,7)(10,11)(12,13)/rA:26cCCCCCCCOCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s15s24;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.40345 |
Area: | 557.009 |
Solvation: | -4.52177 |
Coulombic: | -45.2146 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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