Chemical ID: 5341866

c1ccc(cc1)C(c2ccccc2)(C3C(OCO3)C(c4ccccc4)(c5ccccc5)O)O
Chemical ID:
5341866
Name [?]:
[5-(hydroxy-diphenyl-methyl)-1,3-dioxolan-4-yl]-diphenyl-methanol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(C3C(OCO3)C(c4ccccc4)(c5ccccc5)O)O
InChi [?]:
InChI=1/C29H26O4/c30-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33-21-32-26)29(31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,30-31H,21H2
InChi Info:
AuxInfo=1/0/N:1,11,23,29,2,6,10,12,22,24,28,30,3,5,9,13,21,25,27,31,17,4,8,20,26,14,15,7,19,33,32,18,16/E:(1,2,3,4)(5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20)(22,23,24,25)(26,27)(28,29)(30,31)(32,33)/rA:33cCCCCCCCCCCCCCCCOCOCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s14s17;s15;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:11.7219
Area:600.625
Solvation:-3.29373
Coulombic:-62.0707
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.514
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):6.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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