Chemical ID: 5565549

COc1cc(ccc1OCc2ccccc2)CCl
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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