Chemical ID: 3997490

CCCCCCCOc1ccc(cc1)C(=O)C
Chemical ID:
3997490
Name [?]:
1-(4-heptoxyphenyl)ethanone
SMILES [?]:
CCCCCCCOc1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C15H22O2/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h8-11H,3-7,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,4,5,6,11,13,10,14,7,15,12,9,16,8/E:(8,9)(10,11)/rA:17nCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.08537
Area:477.883
Solvation:-2.8617
Coulombic:-16.9882
Bond Count [?]
All:17
Single:13
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:234.334
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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