Chemical ID: 4248791

CC(=O)c1ccc(cc1)OCCCN2CCOCC2
Chemical ID:
4248791
Name [?]:
1-[4-(3-morpholinopropoxy)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCN2CCOCC2
InChi [?]:
InChI=1/C15H21NO3/c1-13(17)14-3-5-15(6-4-14)19-10-2-7-16-8-11-18-12-9-16/h3-6H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,5,9,6,8,13,15,19,11,16,18,2,4,7,14,3,17,10/E:(3,4)(5,6)(8,9)(11,12)/rA:19nCCOCCCCCCOCCCNCCOCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.14053
Area:479.894
Solvation:-4.85683
Coulombic:-27.8176
Bond Count [?]
All:20
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.332
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.59
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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