Chemical ID: 5611743

c1ccc(cc1)CC(=O)c2cc(c(cc2O)O)O
Chemical ID:
5611743
Name [?]:
2-phenyl-1-(2,4,5-trihydroxyphenyl)-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)c2cc(c(cc2O)O)O
InChi [?]:
InChI=1/C14H12O4/c15-11(6-9-4-2-1-3-5-9)10-7-13(17)14(18)8-12(10)16/h1-5,7-8,16-18H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,14,4,10,8,15,12,13,9,16,18,17/E:(2,3)(4,5)/rA:18nCCCCCCCCOCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.74962
Area:423.679
Solvation:-5.84236
Coulombic:-54.1779
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.243
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):3.0

Name Annotations

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Descriptor Annotations

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