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Chemical ID: 6986594

Chemical ID:

6986594

Name [?]:

(4-phenylphenyl) 3-(p-tolyl)prop-2-enoate

SMILES [?]:

Cc1ccc(cc1)C=CC(=O)Oc2ccc(cc2)c3ccccc3

InChi [?]:

InChI=1/C22H18O2/c1-17-7-9-18(10-8-17)11-16-22(23)24-21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3

InChi Info:

AuxInfo=1/0/N:1,22,21,23,20,24,3,7,4,6,8,15,17,14,18,9,2,5,19,16,13,10,11,12/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:24nCCCCCCCCCCOOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈O₂
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6517
Area:	553.016
Solvation:	-2.17373
Coulombic:	-23.6565

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	314.377
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.17
LogP (Chemaxon):	6.02

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value