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Chemical ID: 7039883

Cc1ccccc1C(=O)Oc2cccc(c2)C=CC(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

7039883

Name [?]:

[3-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]phenyl] 2-methylbenzoate

SMILES [?]:

Cc1ccccc1C(=O)Oc2cccc(c2)C=CC(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C29H22O3/c1-21-8-5-6-13-27(21)29(31)32-26-12-7-9-22(20-26)14-19-28(30)25-17-15-24(16-18-25)23-10-3-2-4-11-23/h2-20H,1H3

InChi Info:

AuxInfo=1/0/N:1,30,29,31,4,5,13,3,14,28,32,12,6,17,23,25,22,26,18,16,2,15,27,24,21,11,7,19,8,20,9,10/E:(3,4)(10,11)(15,16)(17,18)/rA:32nCCCCCCCCOOCCCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;w17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₂O₃
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	14.118
Area:	689.421
Solvation:	-3.11749
Coulombic:	-34.056

Bond Count [?]

All:	35
Single:	20
Double:	15
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	418.483
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.73
LogP (Chemaxon):	7.39

Name Annotations

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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