Chemical ID: 4543694

Cc1ccc(cc1)S(=O)(=O)OCCC(c2ccccc2)(C3CCCCC3)O
Chemical ID:
4543694
Name [?]:
1-cyclohexyl-1-phenyl-3-(p-tolylsulfonyloxy)propan-1-ol
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)OCCC(c2ccccc2)(C3CCCCC3)O
InChi [?]:
InChI=1/C22H28O4S/c1-18-12-14-21(15-13-18)27(24,25)26-17-16-22(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,23H,3,6-7,10-11,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,24,17,19,23,25,16,20,22,26,3,7,4,6,13,12,2,15,21,5,14,27,9,10,11,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(24,25)/CRV:27.6/rA:27cCCCCCCCSOOOCCCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;s22;s23;s24;s21s25;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.2668
Area:564.246
Solvation:-2.83939
Coulombic:-29.2951
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.521
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.1
LogP (Chemaxon):5.13

Name Annotations

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Descriptor Annotations

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