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Chemical ID: 4937742

COc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)C=Cc3ccccc3

Chemical ID:

4937742

Name [?]:

[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

COc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)C=Cc3ccccc3

InChi [?]:

InChI=1/C25H20O4/c1-28-22-13-7-20(8-14-22)9-17-24(26)21-11-15-23(16-12-21)29-25(27)18-10-19-5-3-2-4-6-19/h2-18H,1H3

InChi Info:

AuxInfo=1/0/N:1,27,26,28,25,29,5,7,9,23,14,18,4,8,15,17,10,22,24,6,13,3,16,11,20,12,21,2,19/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:29nCOCCCCCCCCCOCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5466
Area:	614.239
Solvation:	-4.8094
Coulombic:	-37.5665

Bond Count [?]

All:	31
Single:	18
Double:	13
Rotors:	8
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	384.424
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.54
LogP (Chemaxon):	5.58

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

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Chemical Mix	Source	External ID	Descriptor	Value