[3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate

C148H143F9O27S2 — CID 159626835

About [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate

[3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate (PubChem CID 159626835) has the molecular formula C148H143F9O27S2 and a molecular weight of 2588.86 g/mol. Its IUPAC name is [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate
• PubChem CID: 159626835
• Molecular Formula: C148H143F9O27S2
• Molecular Weight: 2588.86 g/mol
• Exact Mass: 2586.91
• IUPAC Name: [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3cc(CCCCC)ccc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(C(F)(F)F)cc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CC)cc3CC)c(=O)sc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)sc2c1.C=CC(=O)OCc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1
• InChI: InChI=1S/C26H25F3O5.C26H28O5.C26H28O4S.C25H23F3O4.C23H22O4S.C22H17F3O5/c1-4-5-6-7-17-8-11-20(22(12-17)26(27,28)29)21-13-18-9-10-19(14-23(18)34-25(21)31)32-15-33-24(30)16(2)3;1-4-7-8-9-18-10-11-19(5-2)22(14-18)23-15-20-12-13-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-3-5-6-7-16-9-11-19(21(12-16)25(26,27)28)20-14-18-10-8-17(15-31-23(29)4-2)13-22(18)32-24(20)30;1-4-15-7-10-19(16(5-2)11-15)20-12-17-8-9-18(13-21(17)28-23(20)25)26-14-27-22(24)6-3;1-3-13-9-15(22(23,24)25)6-8-17(13)18-10-14-5-7-16(11-19(14)30-21(18)27)28-12-29-20(26)4-2/h8-14H,2,4-7,15H2,1,3H3;2*6,10-16H,3-5,7-9,17H2,1-2H3;4,8-14H,2-3,5-7,15H2,1H3;6-13H,3-5,14H2,1-2H3;4-11H,2-3,12H2,1H3
• InChIKey: MOPIUDWPLCUAPQ-UHFFFAOYSA-N
• XLogP: 35.44
• TPSA: 358.93 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 50
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2588.86
LogP ≤ 5	35.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

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'}

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate?

The IUPAC name of [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate (CID 159626835) is [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate.

What is the SMILES notation for [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate?

The canonical SMILES for [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3cc(CCCCC)ccc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(C(F)(F)F)cc3CC)c(=O)oc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CC)cc3CC)c(=O)sc2c1.C=CC(=O)OCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)sc2c1.C=CC(=O)OCc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)c(=O)oc2c1.

What is the InChIKey of [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate?

The InChIKey is MOPIUDWPLCUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O5.C26H28O5.C26H28O4S.C25H23F3O4.C23H22O4S.C22H17F3O5/c1-4-5-6-7-17-8-11-20(22(12-17)26(27,28)29)21-13-18-9-10-19(14-23(18)34-25(21)31)32-15-33-24(30)16(2)3;1-4-7-8-9-18-10-11-19(5-2)22(14-18)23-15-20-12-13-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-4-7-8-9-18-10-13-22(19(5-2)14-18)23-15-20-11-12-21(16-24(20)31-26(23)28)29-17-30-25(27)6-3;1-3-5-6-7-16-9-11-19(21(12-16)25(26,27)28)20-14-18-10-8-17(15-31-23(29)4-2)13-22(18)32-24(20)30;1-4-15-7-10-19(16(5-2)11-15)20-12-17-8-9-18(13-21(17)28-23(20)25)26-14-27-22(24)6-3;1-3-13-9-15(22(23,24)25)6-8-17(13)18-10-14-5-7-16(11-19(14)30-21(18)27)28-12-29-20(26)4-2/h8-14H,2,4-7,15H2,1,3H3;2*6,10-16H,3-5,7-9,17H2,1-2H3;4,8-14H,2-3,5-7,15H2,1H3;6-13H,3-5,14H2,1-2H3;4-11H,2-3,12H2,1H3.

What are the key properties of [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate?

[3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate has a molecular weight of 2588.86 g/mol, XLogP of 35.44, 50 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,4-diethylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-5-pentylphenyl)-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[3-(2-ethyl-4-pentylphenyl)-2-oxothiochromen-7-yl]oxymethyl prop-2-enoate;[3-[2-ethyl-4-(trifluoromethyl)phenyl]-2-oxochromen-7-yl]oxymethyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]methyl prop-2-enoate;[2-oxo-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-7-yl]oxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 159626835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).