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Chemical ID: 6680293
Chemical ID:
6680293
Name [?]:
benzyloxymethylbenzene
SMILES [?]:
c1ccc(cc1)COCc2ccccc2
InChi [?]:
InChI=1/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,4,10,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/rA:15nCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34789 |
Area: | 400.866 |
Solvation: | -2.67377 |
Coulombic: | -11.5037 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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