Chemical ID: 4617975

Cc1ccc(c(c1)C)n2c(c(c3c2ccc(c3)O)C(=O)C)C
Chemical ID:
4617975
Name [?]:
1-[1-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-indol-3-yl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C)n2c(c(c3c2ccc(c3)O)C(=O)C)C
InChi [?]:
InChI=1/C19H19NO2/c1-11-5-7-17(12(2)9-11)20-13(3)19(14(4)21)16-10-15(22)6-8-18(16)20/h5-10,22H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,22,21,3,15,4,14,7,17,2,6,10,19,16,12,5,13,11,9,20,18/rA:22nCCCCCCCCNCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s16;s11;d19;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.39465
Area:492.945
Solvation:-2.92897
Coulombic:-29.3766
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.36
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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