2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid

C164H144F11NO28 — CID 157212685

About 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid

2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid (PubChem CID 157212685) has the molecular formula C164H144F11NO28 and a molecular weight of 2785.91 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid
• PubChem CID: 157212685
• Molecular Formula: C164H144F11NO28
• Molecular Weight: 2785.91 g/mol
• Exact Mass: 2783.97
• IUPAC Name: 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid
• SMILES: COc1cc(-c2ccc(F)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccc(C)cc2)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCc2ccc(C)cc2)c(F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccn2)c(F)c1
• InChI: InChI=1S/C29H24F2O5.C29H24F2O4.C27H26F2O4.C27H22FNO6.C26H24F2O5.C26H24F2O4/c1-17-4-6-18(7-5-17)16-36-24-13-10-20(14-23(24)31)26-25(34-2)15-22(19-8-11-21(30)12-9-19)28(35-3)27(26)29(32)33;1-18-4-6-19(7-5-18)17-35-26-13-10-21(14-25(26)31)28-24(16-32)29(34-3)23(15-27(28)33-2)20-8-11-22(30)12-9-20;1-17(2)6-5-13-33-24-12-9-19(14-23(24)29)26-22(16-30)27(32-4)21(15-25(26)31-3)18-7-10-20(28)11-8-18;1-33-23-14-20(16-6-9-19(30)10-7-16)26(34-2)25(27(31)32)24(23)17-8-11-22(21(28)13-17)35-15-18-5-3-4-12-29-18;1-15(2)11-12-33-21-10-7-17(13-20(21)28)23-22(31-3)14-19(16-5-8-18(27)9-6-16)25(32-4)24(23)26(29)30;1-16(2)11-12-32-23-10-7-18(13-22(23)28)25-21(15-29)26(31-4)20(14-24(25)30-3)17-5-8-19(27)9-6-17/h4-15H,16H2,1-3H3,(H,32,33);4-16H,17H2,1-3H3;6-12,14-16H,5,13H2,1-4H3;3-14,30H,15H2,1-2H3,(H,31,32);5-11,13-14H,12H2,1-4H3,(H,29,30);5-11,13-15H,12H2,1-4H3
• InChIKey: ASBHZCJCUBNRCG-UHFFFAOYSA-N
• XLogP: 39.17
• TPSA: 362.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.91
LogP ≤ 5	39.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid?

The IUPAC name of 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid (CID 157212685) is 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid.

What is the SMILES notation for 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid?

The canonical SMILES for 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid is COc1cc(-c2ccc(F)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccc(C)cc2)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCCC=C(C)C)c(F)c1.COc1cc(-c2ccc(F)cc2)c(OC)c(C=O)c1-c1ccc(OCc2ccc(C)cc2)c(F)c1.COc1cc(-c2ccc(O)cc2)c(OC)c(C(=O)O)c1-c1ccc(OCc2ccccn2)c(F)c1.

What is the InChIKey of 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid?

The InChIKey is ASBHZCJCUBNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2O5.C29H24F2O4.C27H26F2O4.C27H22FNO6.C26H24F2O5.C26H24F2O4/c1-17-4-6-18(7-5-17)16-36-24-13-10-20(14-23(24)31)26-25(34-2)15-22(19-8-11-21(30)12-9-19)28(35-3)27(26)29(32)33;1-18-4-6-19(7-5-18)17-35-26-13-10-21(14-25(26)31)28-24(16-32)29(34-3)23(15-27(28)33-2)20-8-11-22(30)12-9-20;1-17(2)6-5-13-33-24-12-9-19(14-23(24)29)26-22(16-30)27(32-4)21(15-25(26)31-3)18-7-10-20(28)11-8-18;1-33-23-14-20(16-6-9-19(30)10-7-16)26(34-2)25(27(31)32)24(23)17-8-11-22(21(28)13-17)35-15-18-5-3-4-12-29-18;1-15(2)11-12-33-21-10-7-17(13-20(21)28)23-22(31-3)14-19(16-5-8-18(27)9-6-16)25(32-4)24(23)26(29)30;1-16(2)11-12-32-23-10-7-18(13-22(23)28)25-21(15-29)26(31-4)20(14-24(25)30-3)17-5-8-19(27)9-6-17/h4-15H,16H2,1-3H3,(H,32,33);4-16H,17H2,1-3H3;6-12,14-16H,5,13H2,1-4H3;3-14,30H,15H2,1-2H3,(H,31,32);5-11,13-14H,12H2,1-4H3,(H,29,30);5-11,13-15H,12H2,1-4H3.

What are the key properties of 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid?

2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid has a molecular weight of 2785.91 g/mol, XLogP of 39.17, 49 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(4-methylpent-3-enoxy)phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzaldehyde;2-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-fluorophenyl)-3,6-dimethoxybenzoic acid;2-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid is sourced from PubChem (CID 157212685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).