Chemical ID: 4222836

COc1ccc(cc1)OCCCOc2ccccc2Cl
Chemical ID:
4222836
Name [?]:
1-[3-(2-chlorophenoxy)propoxy]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2ccccc2Cl
InChi [?]:
InChI=1/C16H17ClO3/c1-18-13-7-9-14(10-8-13)19-11-4-12-20-16-6-3-2-5-15(16)17/h2-3,5-10H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,11,18,15,4,8,5,7,10,12,3,6,19,14,20,2,9,13/E:(7,8)(9,10)/rA:20nCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;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:7.82739
Area:509.89
Solvation:-4.91986
Coulombic:-23.7271
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:4.56
LogP (Chemaxon):3.73

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Descriptor Annotations

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