Chemical ID: 6668626

c1ccc(cc1)C(=O)c2ccc(c(c2O)C(=O)c3ccccc3)O
Chemical ID:
6668626
Name [?]:
(3-benzoyl-2,4-dihydroxy-phenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(c(c2O)C(=O)c3ccccc3)O
InChi [?]:
InChI=1/C20H14O4/c21-16-12-11-15(18(22)13-7-3-1-4-8-13)20(24)17(16)19(23)14-9-5-2-6-10-14/h1-12,21,24H
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,10,11,4,18,9,12,13,7,16,14,24,8,17,15/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCOCCCCCCOCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.61373
Area:507.471
Solvation:-4.07304
Coulombic:-52.2334
Bond Count [?]
All:26
Single:15
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.323
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.18
LogP (Chemaxon):5.87

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Descriptor Annotations

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