[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate

C241H212F30O53S2 — CID 163907460

IUPAC[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C26H25F3O6.C25H23F3O6.3C25H23F3O5.2C25H23F3O4S.C23H19F3O6.C22H17F3O6.C20H13F3O6/c1-4-5-6-7-17-8-11-20(23(12-17)35-26(27,28)29)21-13-18-9-10-19(14-22(18)34-25(21)31)32-15-33-24(30)16(2)3;1-3-5-6-7-16-8-11-19(22(12-16)34-25(26,27)28)20-13-17-9-10-18(14-21(17)33-24(20)30)31-15-32-23(29)4-2;3*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)33-24(20)30)31-15-32-23(29)4-2;2*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)32-24(20)30)33-15-31-23(29)4-2;1-4-14-5-8-17(20(9-14)32-23(24,25)26)18-10-15-6-7-16(11-19(15)31-22(18)28)29-12-30-21(27)13(2)3;1-3-13-5-8-16(19(9-13)31-22(23,24)25)17-10-14-6-7-15(11-18(14)30-21(17)27)28-12-29-20(26)4-2;1-2-18(24)27-11-26-15-8-5-13-9-16(19(25)28-17(13)10-15)12-3-6-14(7-4-12)29-20(21,22)23/h8-14H,2,4-7,15H2,1,3H3;4,8-14H,2-3,5-7,15H2,1H3;5*4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;4-11H,2-3,12H2,1H3;2-10H,1,11H2
InChIKeyQPFDZIQSOQVDKR-UHFFFAOYSA-N
MW4590.37 g/mol
LogP60.30
Rot. Bonds85

About [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate

[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate (PubChem CID 163907460) has the molecular formula C241H212F30O53S2 and a molecular weight of 4590.37 g/mol. Its IUPAC name is [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate.

Molecular Properties

Compound Name[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
PubChem CID163907460
Molecular FormulaC241H212F30O53S2
Molecular Weight4590.37 g/mol
Exact Mass4587.29
IUPAC Name[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C26H25F3O6.C25H23F3O6.3C25H23F3O5.2C25H23F3O4S.C23H19F3O6.C22H17F3O6.C20H13F3O6/c1-4-5-6-7-17-8-11-20(23(12-17)35-26(27,28)29)21-13-18-9-10-19(14-22(18)34-25(21)31)32-15-33-24(30)16(2)3;1-3-5-6-7-16-8-11-19(22(12-16)34-25(26,27)28)20-13-17-9-10-18(14-21(17)33-24(20)30)31-15-32-23(29)4-2;3*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)33-24(20)30)31-15-32-23(29)4-2;2*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)32-24(20)30)33-15-31-23(29)4-2;1-4-14-5-8-17(20(9-14)32-23(24,25)26)18-10-15-6-7-16(11-19(15)31-22(18)28)29-12-30-21(27)13(2)3;1-3-13-5-8-16(19(9-13)31-22(23,24)25)17-10-14-6-7-15(11-18(14)30-21(17)27)28-12-29-20(26)4-2;1-2-18(24)27-11-26-15-8-5-13-9-16(19(25)28-17(13)10-15)12-3-6-14(7-4-12)29-20(21,22)23/h8-14H,2,4-7,15H2,1,3H3;4,8-14H,2-3,5-7,15H2,1H3;5*4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;4-11H,2-3,12H2,1H3;2-10H,1,11H2
InChIKeyQPFDZIQSOQVDKR-UHFFFAOYSA-N
XLogP60.30
TPSA685.09 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds85
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004590.37
LogP ≤ 560.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate with MolForge

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Related Compounds

[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
CID 159272392
[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate
CID 140898568
[3,3,4,4,5,5,6,6-octafluoro-8-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxyoctyl] prop-2-enoate
CID 153306097
[3,3,4,4,5,5,6,6-octafluoro-8-[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxyoctyl] 2-methylprop-2-enoate
CID 153306075
[2,3-dimethyl-3-[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxybutan-2-yl] prop-2-enoate
CID 145263260
[3,3,4,4,5,5,6,6-octafluoro-8-[3-[4-hexyl-2-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]sulfanyloctyl] prop-2-enoate
CID 170022747
1,3-bis[[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-6-yl]oxy]propan-2-yloxymethyl 2-methylprop-2-enoate
CID 153454849
[3-(4-butylsulfanylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-ethyl-7-[[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl]nonyl] prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(3-octan-3-ylphenyl)-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;2-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]ethyl prop-2-enoate;(2-oxo-3-phenylchromen-7-yl)oxymethyl prop-2-enoate;[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate
CID 165091194
[3,3,3-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzofuran-6-yl]oxymethyl]propyl] prop-2-enoate
CID 146390677
[3,3,3-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-benzofuran-6-yl]oxymethyl]propyl] 2-methylprop-2-enoate
CID 146390674
[3-[1,3-bis[[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxy]propan-2-yloxy]-2-(trifluoromethyl)cyclopentyl] 2-methylprop-2-enoate
CID 153454769
[3,3,3-trifluoro-2-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzofuran-6-yl]sulfanylmethyl]propyl] 2-methylprop-2-enoate
CID 146390672

Frequently Asked Questions

What is the IUPAC name of [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The IUPAC name of [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate (CID 163907460) is [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate.
What is the SMILES notation for [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The canonical SMILES for [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate is C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.
What is the InChIKey of [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
The InChIKey is QPFDZIQSOQVDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O6.C25H23F3O6.3C25H23F3O5.2C25H23F3O4S.C23H19F3O6.C22H17F3O6.C20H13F3O6/c1-4-5-6-7-17-8-11-20(23(12-17)35-26(27,28)29)21-13-18-9-10-19(14-22(18)34-25(21)31)32-15-33-24(30)16(2)3;1-3-5-6-7-16-8-11-19(22(12-16)34-25(26,27)28)20-13-17-9-10-18(14-21(17)33-24(20)30)31-15-32-23(29)4-2;3*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)33-24(20)30)31-15-32-23(29)4-2;2*1-3-5-6-7-16-8-11-19(21(12-16)25(26,27)28)20-13-17-9-10-18(14-22(17)32-24(20)30)33-15-31-23(29)4-2;1-4-14-5-8-17(20(9-14)32-23(24,25)26)18-10-15-6-7-16(11-19(15)31-22(18)28)29-12-30-21(27)13(2)3;1-3-13-5-8-16(19(9-13)31-22(23,24)25)17-10-14-6-7-15(11-18(14)30-21(17)27)28-12-29-20(26)4-2;1-2-18(24)27-11-26-15-8-5-13-9-16(19(25)28-17(13)10-15)12-3-6-14(7-4-12)29-20(21,22)23/h8-14H,2,4-7,15H2,1,3H3;4,8-14H,2-3,5-7,15H2,1H3;5*4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;4-11H,2-3,12H2,1H3;2-10H,1,11H2.
What are the key properties of [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate?
[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate has a molecular weight of 4590.37 g/mol, XLogP of 60.30, 85 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate;tris([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl prop-2-enoate);bis([2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]sulfanylmethyl prop-2-enoate);[2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl prop-2-enoate is sourced from PubChem (CID 163907460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).