Chemical ID: 5614170

CCCCCCCOc1ccc(cc1)c2ccc(cc2)C
Chemical ID:
5614170
Name [?]:
1-[4-(p-tolyl)phenoxy]heptane
SMILES [?]:
CCCCCCCOc1ccc(cc1)c2ccc(cc2)C
InChi [?]:
InChI=1/C20H26O/c1-3-4-5-6-7-16-21-20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h8-15H,3-7,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,6,17,19,16,20,11,13,10,14,7,18,15,12,9,8/E:(8,9)(10,11)(12,13)(14,15)/rA:21nCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.5253
Area:545.085
Solvation:-2.10182
Coulombic:-11.8019
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:282.42
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.37
LogP (Chemaxon):6.34

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Descriptor Annotations

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