[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate

C144H131F13O27S5 — CID 159977608

IUPAC[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1cc(F)c2cc(-c3ccccc3C(F)(F)F)c(=O)sc2c1.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)cc3CC)c(=S)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=S)sc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=S)oc2c1
InChIInChI=1S/C26H25F3O6.C26H28O4S.C25H23F3O3S2.C23H19F3O6.C23H22O4S.C21H14F4O4S/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;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)30-26(23)31)28-17-29-25(27)6-3;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)32)30-15-31-23(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;1-4-15-7-10-19(16(5-2)11-15)20-12-17-8-9-18(13-21(17)27-23(20)28)25-14-26-22(24)6-3;1-11(2)19(26)29-10-28-12-7-17(22)15-9-14(20(27)30-18(15)8-12)13-5-3-4-6-16(13)21(23,24)25/h8-14H,2,4-7,15H2,1,3H3;6,10-16H,3-5,7-9,17H2,1-2H3;4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;6-13H,3-5,14H2,1-2H3;3-9H,1,10H2,2H3
InChIKeyOFIWHNCROARUFK-UHFFFAOYSA-N
MW2700.91 g/mol
LogP38.79
Rot. Bonds48

About [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate

[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate (PubChem CID 159977608) has the molecular formula C144H131F13O27S5 and a molecular weight of 2700.91 g/mol. Its IUPAC name is [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate.

Molecular Properties

Compound Name[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate
PubChem CID159977608
Molecular FormulaC144H131F13O27S5
Molecular Weight2700.91 g/mol
Exact Mass2698.73
IUPAC Name[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate
SMILESC=C(C)C(=O)OCOc1cc(F)c2cc(-c3ccccc3C(F)(F)F)c(=O)sc2c1.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)cc3CC)c(=S)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=S)sc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=S)oc2c1
InChIInChI=1S/C26H25F3O6.C26H28O4S.C25H23F3O3S2.C23H19F3O6.C23H22O4S.C21H14F4O4S/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;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)30-26(23)31)28-17-29-25(27)6-3;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)32)30-15-31-23(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;1-4-15-7-10-19(16(5-2)11-15)20-12-17-8-9-18(13-21(17)27-23(20)28)25-14-26-22(24)6-3;1-11(2)19(26)29-10-28-12-7-17(22)15-9-14(20(27)30-18(15)8-12)13-5-3-4-6-16(13)21(23,24)25/h8-14H,2,4-7,15H2,1,3H3;6,10-16H,3-5,7-9,17H2,1-2H3;4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;6-13H,3-5,14H2,1-2H3;3-9H,1,10H2,2H3
InChIKeyOFIWHNCROARUFK-UHFFFAOYSA-N
XLogP38.79
TPSA335.41 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002700.91
LogP ≤ 538.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate?
The IUPAC name of [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate (CID 159977608) is [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate.
What is the SMILES notation for [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate?
The canonical SMILES for [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate is C=C(C)C(=O)OCOc1cc(F)c2cc(-c3ccccc3C(F)(F)F)c(=O)sc2c1.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)cc3CC)c(=S)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=S)sc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=S)oc2c1.
What is the InChIKey of [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate?
The InChIKey is OFIWHNCROARUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O6.C26H28O4S.C25H23F3O3S2.C23H19F3O6.C23H22O4S.C21H14F4O4S/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;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)30-26(23)31)28-17-29-25(27)6-3;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)32)30-15-31-23(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;1-4-15-7-10-19(16(5-2)11-15)20-12-17-8-9-18(13-21(17)27-23(20)28)25-14-26-22(24)6-3;1-11(2)19(26)29-10-28-12-7-17(22)15-9-14(20(27)30-18(15)8-12)13-5-3-4-6-16(13)21(23,24)25/h8-14H,2,4-7,15H2,1,3H3;6,10-16H,3-5,7-9,17H2,1-2H3;4,8-14H,2-3,5-7,15H2,1H3;5-11H,2,4,12H2,1,3H3;6-13H,3-5,14H2,1-2H3;3-9H,1,10H2,2H3.
What are the key properties of [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate?
[3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate has a molecular weight of 2700.91 g/mol, XLogP of 38.79, 48 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-diethylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-sulfanylidenechromen-7-yl]oxymethyl prop-2-enoate;[3-[4-ethyl-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[5-fluoro-2-oxo-3-[2-(trifluoromethyl)phenyl]thiochromen-7-yl]oxymethyl 2-methylprop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethoxy)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate;[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxymethyl prop-2-enoate is sourced from PubChem (CID 159977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).