Chemical ID: 3997335

CCCCCOc1ccc(cc1)C(=O)C
Chemical ID:
3997335
Name [?]:
1-(4-pentoxyphenyl)ethanone
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C13H18O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,3,4,9,11,8,12,5,13,10,7,14,6/E:(6,7)(8,9)/rA:15nCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.74807
Area:424.022
Solvation:-2.85248
Coulombic:-16.3718
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):2.71

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Descriptor Annotations

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