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Chemical ID: 4403714

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3OC)Br

Chemical ID:

4403714

Name [?]:

[4-bromo-2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] 2-methoxybenzoate

SMILES [?]:

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3OC)Br

InChi [?]:

InChI=1/C24H19BrO5/c1-28-21-9-5-3-7-16(21)11-13-20(26)19-15-17(25)12-14-23(19)30-24(27)18-8-4-6-10-22(18)29-2/h3-15H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,6,24,5,25,7,23,4,26,9,16,10,17,14,8,15,22,13,11,3,27,18,20,30,12,21,2,28,19/rA:30nCOCCCCCCCCCOCCCCCCOCOCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉BrO₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.69731
Area:	620.195
Solvation:	-5.80756
Coulombic:	-43.7814

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	467.309
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.98
LogP (Chemaxon):	5.53

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