4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene

C102H118Cl3FN2O5 — CID 162005368

About 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene

4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene (PubChem CID 162005368) has the molecular formula C102H118Cl3FN2O5 and a molecular weight of 1577.43 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene.

Molecular Properties

• Compound Name: 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene
• PubChem CID: 162005368
• Molecular Formula: C102H118Cl3FN2O5
• Molecular Weight: 1577.43 g/mol
• Exact Mass: 1574.81
• IUPAC Name: 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene
• SMILES: C#Cc1cc(C(C)(C)C)ccc1F.C#Cc1cc(C(C)(C)C)ccc1OCc1cccc(C)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2C)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1
• InChI: InChI=1S/C20H22O.C19H24O.C18H21ClO.C17H20ClNO.C16H18ClNO.C12H13F/c1-6-17-13-18(20(3,4)5)10-11-19(17)21-14-16-9-7-8-15(2)12-16;1-14-7-6-8-16(11-14)13-20-18-10-9-17(12-15(18)2)19(3,4)5;1-13-6-5-7-14(10-13)12-20-17-9-8-15(11-16(17)19)18(2,3)4;1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-5-9-8-10(12(2,3)4)6-7-11(9)13/h1,7-13H,14H2,2-5H3;6-12H,13H2,1-5H3;5-11H,12H2,1-4H3;5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;1,6-8H,2-4H3
• InChIKey: YSTLAFIPIQMVOK-UHFFFAOYSA-N
• XLogP: 28.19
• TPSA: 71.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1577.43
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene?

The IUPAC name of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene (CID 162005368) is 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene.

What is the SMILES notation for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene?

The canonical SMILES for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene is C#Cc1cc(C(C)(C)C)ccc1F.C#Cc1cc(C(C)(C)C)ccc1OCc1cccc(C)c1.CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2C)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)c1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)n1.

What is the InChIKey of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene?

The InChIKey is YSTLAFIPIQMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O.C19H24O.C18H21ClO.C17H20ClNO.C16H18ClNO.C12H13F/c1-6-17-13-18(20(3,4)5)10-11-19(17)21-14-16-9-7-8-15(2)12-16;1-14-7-6-8-16(11-14)13-20-18-10-9-17(12-15(18)2)19(3,4)5;1-13-6-5-7-14(10-13)12-20-17-9-8-15(11-16(17)19)18(2,3)4;1-12-6-5-7-14(19-12)11-20-16-9-8-13(10-15(16)18)17(2,3)4;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-5-9-8-10(12(2,3)4)6-7-11(9)13/h1,7-13H,14H2,2-5H3;6-12H,13H2,1-5H3;5-11H,12H2,1-4H3;5-10H,11H2,1-4H3;4-10H,11H2,1-3H3;1,6-8H,2-4H3.

What are the key properties of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene?

4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene has a molecular weight of 1577.43 g/mol, XLogP of 28.19, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene is sourced from PubChem (CID 162005368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).