Chemical ID: 4261555

CC(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)C)Oc3ccccc3C(C)C
Chemical ID:
4261555
Name [?]:
1-bis(2-isopropylphenoxy)phosphoryloxy-2-isopropyl-benzene
SMILES [?]:
CC(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)C)Oc3ccccc3C(C)C
InChi [?]:
InChI=1/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,31,32,6,17,27,7,16,26,5,18,28,8,15,25,2,20,30,4,19,29,9,14,24,12,10,13,23,11/E:(1,2,3,4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)(19,20,21)(22,23,24)(25,26,27)(29,30,31)/rA:32nCCCCCCCCCOPOOCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s11;s23;s24;d25;s26;d27;d24s28;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33O4P
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.4483
Area:641.644
Solvation:-1.59283
Coulombic:-45.6217
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.522
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:8.64
LogP (Chemaxon):8.07

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Experimental Annotations

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Descriptor Annotations

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