Chemical ID: 6620685

c1ccc(cc1)COc2ccc(cc2)C3C(C(=O)c4ccccc4O3)O
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

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