bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine

C129H98Cl2F28N2O22 — CID 161410687

About bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine

bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine (PubChem CID 161410687) has the molecular formula C129H98Cl2F28N2O22 and a molecular weight of 2631.04 g/mol. Its IUPAC name is bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

• Compound Name: bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine
• PubChem CID: 161410687
• Molecular Formula: C129H98Cl2F28N2O22
• Molecular Weight: 2631.04 g/mol
• Exact Mass: 2628.55
• IUPAC Name: bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine
• SMILES: COc1ccc(C(=O)c2c(F)c(F)c(O)c(F)c2F)c(OC)c1.COc1ccc(C(=O)c2c(F)c(F)c(OCc3ccc(C)cc3)c(F)c2F)c(OC)c1.Cc1ccc(CCl)cc1.Cc1ccc(CCl)cc1.Cc1ccc(COc2c(F)c(F)c(C(=O)O)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CO)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CON)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CON3C(=O)c4ccccc4C3=O)c(F)c2F)cc1.O=C(O)c1c(F)c(F)c(O)c(F)c1F
• InChI: InChI=1S/C23H15F4NO4.C23H18F4O4.C15H13F4NO2.C15H10F4O4.C15H10F4O3.C15H12F4O2.2C8H9Cl.C7H2F4O3/c1-12-6-8-13(9-7-12)10-31-21-19(26)17(24)16(18(25)20(21)27)11-32-28-22(29)14-4-2-3-5-15(14)23(28)30;1-12-4-6-13(7-5-12)11-31-23-20(26)18(24)17(19(25)21(23)27)22(28)15-9-8-14(29-2)10-16(15)30-3;1-8-2-4-9(5-3-8)6-21-15-13(18)11(16)10(7-22-20)12(17)14(15)19;1-22-6-3-4-7(8(5-6)23-2)14(20)9-10(16)12(18)15(21)13(19)11(9)17;1-7-2-4-8(5-3-7)6-22-14-12(18)10(16)9(15(20)21)11(17)13(14)19;1-8-2-4-9(5-3-8)7-21-15-13(18)11(16)10(6-20)12(17)14(15)19;2*1-7-2-4-8(6-9)5-3-7;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h2-9H,10-11H2,1H3;4-10H,11H2,1-3H3;2-5H,6-7,20H2,1H3;3-5,21H,1-2H3;2-5H,6H2,1H3,(H,20,21);2-5,20H,6-7H2,1H3;2*2-5H,6H2,1H3;12H,(H,13,14)
• InChIKey: VVKSMMAWPZPIEY-UHFFFAOYSA-N
• XLogP: 31.52
• TPSA: 334.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2631.04
LogP ≤ 5	31.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine?

The IUPAC name of bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine (CID 161410687) is bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine.

What is the SMILES notation for bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine?

The canonical SMILES for bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine is COc1ccc(C(=O)c2c(F)c(F)c(O)c(F)c2F)c(OC)c1.COc1ccc(C(=O)c2c(F)c(F)c(OCc3ccc(C)cc3)c(F)c2F)c(OC)c1.Cc1ccc(CCl)cc1.Cc1ccc(CCl)cc1.Cc1ccc(COc2c(F)c(F)c(C(=O)O)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CO)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CON)c(F)c2F)cc1.Cc1ccc(COc2c(F)c(F)c(CON3C(=O)c4ccccc4C3=O)c(F)c2F)cc1.O=C(O)c1c(F)c(F)c(O)c(F)c1F.

What is the InChIKey of bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine?

The InChIKey is VVKSMMAWPZPIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4NO4.C23H18F4O4.C15H13F4NO2.C15H10F4O4.C15H10F4O3.C15H12F4O2.2C8H9Cl.C7H2F4O3/c1-12-6-8-13(9-7-12)10-31-21-19(26)17(24)16(18(25)20(21)27)11-32-28-22(29)14-4-2-3-5-15(14)23(28)30;1-12-4-6-13(7-5-12)11-31-23-20(26)18(24)17(19(25)21(23)27)22(28)15-9-8-14(29-2)10-16(15)30-3;1-8-2-4-9(5-3-8)6-21-15-13(18)11(16)10(7-22-20)12(17)14(15)19;1-22-6-3-4-7(8(5-6)23-2)14(20)9-10(16)12(18)15(21)13(19)11(9)17;1-7-2-4-8(5-3-7)6-22-14-12(18)10(16)9(15(20)21)11(17)13(14)19;1-8-2-4-9(5-3-8)7-21-15-13(18)11(16)10(6-20)12(17)14(15)19;2*1-7-2-4-8(6-9)5-3-7;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h2-9H,10-11H2,1H3;4-10H,11H2,1-3H3;2-5H,6-7,20H2,1H3;3-5,21H,1-2H3;2-5H,6H2,1H3,(H,20,21);2-5,20H,6-7H2,1H3;2*2-5H,6H2,1H3;12H,(H,13,14).

What are the key properties of bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine?

bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 2631.04 g/mol, XLogP of 31.52, 33 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 161410687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).