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Chemical ID: 3997490
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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