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Chemical ID: 5871127
Chemical ID:
5871127
Name [?]:
4-(o-tolylmethoxy)benzaldehyde
SMILES [?]:
Cc1ccccc1COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C15H14O2/c1-12-4-2-3-5-14(12)11-17-15-8-6-13(10-16)7-9-15/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,12,14,11,15,16,8,2,13,7,10,17,9/E:(6,7)(8,9)/rA:17nCCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08428 |
Area: | 422.82 |
Solvation: | -3.48621 |
Coulombic: | -16.6293 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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