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Chemical ID: 5574396
Chemical ID:
5574396
Name [?]:
2-benzyloxy-4-(chloromethyl)-1-methoxy-benzene
SMILES [?]:
COc1ccc(cc1OCc2ccccc2)CCl
InChi [?]:
InChI=1/C15H15ClO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,4,7,17,10,11,6,3,8,18,2,9/E:(3,4)(5,6)/rA:18nCOCCCCCCOCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s6;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93763 |
Area: | 466.681 |
Solvation: | -4.7294 |
Coulombic: | -16.8968 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.731 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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