Chemical ID: 4373257

CCOc1ccc(cc1)OCCOc2ccccc2Cl
Chemical ID:
4373257
Name [?]:
1-[2-(2-chlorophenoxy)ethoxy]-4-ethoxy-benzene
SMILES [?]:
CCOc1ccc(cc1)OCCOc2ccccc2Cl
InChi [?]:
InChI=1/C16H17ClO3/c1-2-18-13-7-9-14(10-8-13)19-11-12-20-16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,5,9,6,8,11,12,4,7,19,14,20,3,10,13/E:(7,8)(9,10)/rA:20nCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.57175
Area:508.756
Solvation:-5.14715
Coulombic:-23.6642
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.757
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):4.02

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Descriptor Annotations

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