[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate

C173H184F18O36S — CID 157377582

About [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate

[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate (PubChem CID 157377582) has the molecular formula C173H184F18O36S and a molecular weight of 3213.37 g/mol. Its IUPAC name is [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate.

Molecular Properties

• Compound Name: [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate
• PubChem CID: 157377582
• Molecular Formula: C173H184F18O36S
• Molecular Weight: 3213.37 g/mol
• Exact Mass: 3211.20
• IUPAC Name: [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate
• SMILES: C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1
• InChI: InChI=1S/C32H38F2O6.C31H36F2O4S.C28H27F5O7.C28H30F2O6.C27H25F5O7.C27H28F2O6/c1-5-6-7-10-23-11-14-26(29(19-23)37-4)27-20-24-12-13-25(21-28(24)40-31(27)36)38-17-8-15-32(33,34)16-9-18-39-30(35)22(2)3;1-4-6-7-10-23-11-14-26(22(3)19-23)27-20-24-12-13-25(21-28(24)37-30(27)35)38-18-9-16-31(32,33)15-8-17-36-29(34)5-2;1-17(2)25(34)38-13-5-11-27(29,30)10-4-12-37-20-7-6-18-14-22(26(35)39-23(18)16-20)21-9-8-19(36-3)15-24(21)40-28(31,32)33;1-18(2)26(31)35-14-6-12-28(29,30)11-5-13-34-22-8-7-20-16-24(27(32)36-25(20)17-22)23-10-9-21(33-4)15-19(23)3;1-3-24(33)37-13-5-11-26(28,29)10-4-12-36-19-7-6-17-14-21(25(34)38-22(17)16-19)20-9-8-18(35-2)15-23(20)39-27(30,31)32;1-4-25(30)34-14-6-12-27(28,29)11-5-13-33-21-8-7-19-16-23(26(31)35-24(19)17-21)22-10-9-20(32-3)15-18(22)2/h11-14,19-21H,2,5-10,15-18H2,1,3-4H3;5,11-14,19-21H,2,4,6-10,15-18H2,1,3H3;6-9,14-16H,1,4-5,10-13H2,2-3H3;7-10,15-17H,1,5-6,11-14H2,2-4H3;3,6-9,14-16H,1,4-5,10-13H2,2H3;4,7-10,15-17H,1,5-6,11-14H2,2-3H3
• InChIKey: BKMNXCVARUNKGO-UHFFFAOYSA-N
• XLogP: 42.70
• TPSA: 449.82 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 81
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3213.37
LogP ≤ 5	42.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate?

The IUPAC name of [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate (CID 157377582) is [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate.

What is the SMILES notation for [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate?

The canonical SMILES for [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate is C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)c(=O)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3C)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)c(=O)oc2c1.C=CC(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3C)c(=O)oc2c1.

What is the InChIKey of [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate?

The InChIKey is BKMNXCVARUNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2O6.C31H36F2O4S.C28H27F5O7.C28H30F2O6.C27H25F5O7.C27H28F2O6/c1-5-6-7-10-23-11-14-26(29(19-23)37-4)27-20-24-12-13-25(21-28(24)40-31(27)36)38-17-8-15-32(33,34)16-9-18-39-30(35)22(2)3;1-4-6-7-10-23-11-14-26(22(3)19-23)27-20-24-12-13-25(21-28(24)37-30(27)35)38-18-9-16-31(32,33)15-8-17-36-29(34)5-2;1-17(2)25(34)38-13-5-11-27(29,30)10-4-12-37-20-7-6-18-14-22(26(35)39-23(18)16-20)21-9-8-19(36-3)15-24(21)40-28(31,32)33;1-18(2)26(31)35-14-6-12-28(29,30)11-5-13-34-22-8-7-20-16-24(27(32)36-25(20)17-22)23-10-9-21(33-4)15-19(23)3;1-3-24(33)37-13-5-11-26(28,29)10-4-12-36-19-7-6-17-14-21(25(34)38-22(17)16-19)20-9-8-18(35-2)15-23(20)39-27(30,31)32;1-4-25(30)34-14-6-12-27(28,29)11-5-13-33-21-8-7-19-16-23(26(31)35-24(19)17-21)22-10-9-20(32-3)15-18(22)2/h11-14,19-21H,2,5-10,15-18H2,1,3-4H3;5,11-14,19-21H,2,4,6-10,15-18H2,1,3H3;6-9,14-16H,1,4-5,10-13H2,2-3H3;7-10,15-17H,1,5-6,11-14H2,2-4H3;3,6-9,14-16H,1,4-5,10-13H2,2H3;4,7-10,15-17H,1,5-6,11-14H2,2-3H3.

What are the key properties of [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate?

[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate has a molecular weight of 3213.37 g/mol, XLogP of 42.70, 81 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-(4-methoxy-2-methylphenyl)-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methoxy-4-pentylphenyl)-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[3-[4-methoxy-2-(trifluoromethoxy)phenyl]-2-oxochromen-7-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]sulfanylheptyl] prop-2-enoate is sourced from PubChem (CID 157377582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).