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Chemical ID: 7040260

CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

7040260

Name [?]:

[4-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]phenyl] 4-tert-butylbenzoate

SMILES [?]:

CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C32H28O3/c1-32(2,3)28-18-16-27(17-19-28)31(34)35-29-20-9-23(10-21-29)11-22-30(33)26-14-12-25(13-15-26)24-7-5-4-6-8-24/h4-22H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,33,32,34,31,35,16,18,20,26,28,25,29,7,9,6,10,15,19,21,17,30,27,24,8,5,14,22,11,2,23,12,13/E:(1,2,3)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:35nCCCCCCCCCCCOOCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₂₈O₃
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	15.7666
Area:	757.243
Solvation:	-3.16448
Coulombic:	-34.7272

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	460.563
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	9.11
LogP (Chemaxon):	8.55

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

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Chemical Mix	Source	External ID	Descriptor	Value