Chemical ID: 4486341

Cc1ccccc1CC(=O)c2ccc(c(c2O)O)O
Chemical ID:
4486341
Name [?]:
2-(o-tolyl)-1-(2,3,4-trihydroxyphenyl)-ethanone
SMILES [?]:
Cc1ccccc1CC(=O)c2ccc(c(c2O)O)O
InChi [?]:
InChI=1/C15H14O4/c1-9-4-2-3-5-10(9)8-13(17)11-6-7-12(16)15(19)14(11)18/h2-7,16,18-19H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,12,13,8,2,7,11,14,9,16,15,19,10,17,18/rA:19nCCCCCCCCCOCCCCCCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.78177
Area:438.925
Solvation:-6.19136
Coulombic:-54.6752
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.269
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):3.46

Name Annotations

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Descriptor Annotations

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