Chemical ID: 5871127

Cc1ccccc1COc2ccc(cc2)C=O
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

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Descriptor Annotations

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