Chemical ID: 6918083

CC(C)NCC(COc1ccc(cc1)O)O
Chemical ID:
6918083
Name [?]:
4-(2-hydroxy-3-isopropylamino-propoxy)phenol
SMILES [?]:
CC(C)NCC(COc1ccc(cc1)O)O
InChi [?]:
InChI=1/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,13,10,14,5,7,2,12,6,9,4,15,16,8/E:(1,2)(3,4)(5,6)/rA:16cCCCNCCCOCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s6;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO3
All Atoms:35
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:5.88328
Area:435.898
Solvation:-5.01416
Coulombic:-48.3419
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.284
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.36
LogP (Chemaxon):0.93

Name Annotations

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Descriptor Annotations

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