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Chemical ID: 6851748

COC(=O)c1ccc(cc1)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl

Chemical ID:

6851748

Name [?]:

methyl 4-[[2-(4-chlorophenyl)-4-oxo-chromen-3-yl]oxymethyl]benzoate

SMILES [?]:

COC(=O)c1ccc(cc1)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl

InChi [?]:

InChI=1/C24H17ClO5/c1-28-24(27)17-8-6-15(7-9-17)14-29-23-21(26)19-4-2-3-5-20(19)30-22(23)16-10-12-18(25)13-11-16/h2-13H,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,19,17,20,7,9,6,10,25,29,26,28,11,8,24,5,27,16,21,14,23,13,3,30,15,4,2,12,22/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCOCOCCCCCCCOCCOCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₇ClO₅
All Atoms:	47
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9008
Area:	631.304
Solvation:	-3.8818
Coulombic:	-49.1106

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	420.841
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.14
LogP (Chemaxon):	5.21

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