Chemical ID: 5757725

c1ccc(cc1)COc2ccc(cc2)CCl
Chemical ID:
5757725
Name [?]:
1-benzyloxy-4-(chloromethyl)benzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)CCl
InChi [?]:
InChI=1/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,13,10,14,15,7,12,4,9,16,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.20972
Area:429.579
Solvation:-2.52975
Coulombic:-10.8616
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.705
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.11
LogP (Chemaxon):4.18

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Descriptor Annotations

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