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Chemical ID: 4146805

CC(C)(C)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)c5ccccc5

Chemical ID:

4146805

Name [?]:

[4-oxo-3-(4-tert-butylphenoxy)-chromen-7-yl] 4-phenylbenzoate

SMILES [?]:

CC(C)(C)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)c5ccccc5

InChi [?]:

InChI=1/C32H26O5/c1-32(2,3)24-13-15-25(16-14-24)36-29-20-35-28-19-26(17-18-27(28)30(29)33)37-31(34)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-20H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,35,34,36,33,37,28,30,27,31,6,10,7,9,18,19,16,13,32,29,26,5,8,17,20,15,12,21,24,2,22,25,14,11,23/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:37nCCCCCCCCCCOCCOCCCCCCCOOCOCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;d21;s17;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₂₆O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9228
Area:	752.281
Solvation:	-3.88427
Coulombic:	-48.6025

Bond Count [?]

All:	41
Single:	26
Double:	15
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	490.546
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	8.74
LogP (Chemaxon):	8.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value