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Chemical ID: 4953477
Chemical ID:
4953477
Name [?]:
1-[(4-chlorophenyl)methoxy]-2-methyl-benzene
SMILES [?]:
Cc1ccccc1OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClO/c1-11-4-2-3-5-14(11)16-10-12-6-8-13(15)9-7-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,11,15,12,14,9,2,10,13,7,16,8/E:(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5781 |
Area: | 425.606 |
Solvation: | -2.06205 |
Coulombic: | -10.8855 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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