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Chemical ID: 5565549
Chemical ID:
5565549
Name [?]:
1-benzyloxy-4-(chloromethyl)-2-methoxy-benzene
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)CCl
InChi [?]:
InChI=1/C15H15ClO2/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,6,7,4,17,10,11,5,8,3,18,2,9/E:(3,4)(5,6)/rA:18nCOCCCCCCOCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90004 |
Area: | 466.836 |
Solvation: | -4.77086 |
Coulombic: | -16.9033 |
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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