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Chemical ID: 5064901
Chemical ID:
5064901
Name [?]:
1-methoxy-4-(phenoxymethyl)benzene
SMILES [?]:
COc1ccc(cc1)COc2ccccc2
InChi [?]:
InChI=1/C14H14O2/c1-15-13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,7,4,8,9,6,3,11,2,10/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCOCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71471 |
Area: | 408.599 |
Solvation: | -3.50026 |
Coulombic: | -17.0331 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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