Chemical ID: 5768916

CCOC(=O)c1c(n(c2c1cc(cc2)O)CCOc3ccc(c(c3)C)C)C
Chemical ID:
5768916
Name [?]:
ethyl 1-[2-(3,4-dimethylphenoxy)ethyl]-5-hydroxy-2-methyl-indole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(cc2)O)CCOc3ccc(c(c3)C)C)C
InChi [?]:
InChI=1/C22H25NO4/c1-5-26-22(25)21-16(4)23(20-9-7-17(24)13-19(20)21)10-11-27-18-8-6-14(2)15(3)12-18/h6-9,12-13,24H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,2,21,13,20,14,16,17,24,11,22,23,7,12,19,10,9,6,4,8,15,5,3,18/rA:27nCCOCOCCNCCCCCCOCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s8;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6289
Area:619.33
Solvation:-3.85432
Coulombic:-50.2104
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.19
LogP (Chemaxon):4.87

Name Annotations

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Descriptor Annotations

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