Chemical ID: 4264647

c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCO
Chemical ID:
4264647
Name [?]:
2-(5-benzyloxy-1H-indol-3-yl)ethanol
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)CCO
InChi [?]:
InChI=1/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,18,19,14,16,7,4,15,9,13,12,17,20,8/E:(2,3)(4,5)/rA:20nCCCCCCCOCCCCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s15;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.20362
Area:479.162
Solvation:-3.77542
Coulombic:-36.6578
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.322
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.07
LogP (Chemaxon):3.69

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Descriptor Annotations

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