1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine

C107H158FN5O15 — CID 157403126

About 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine

1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine (PubChem CID 157403126) has the molecular formula C107H158FN5O15 and a molecular weight of 1773.46 g/mol. Its IUPAC name is 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine
• PubChem CID: 157403126
• Molecular Formula: C107H158FN5O15
• Molecular Weight: 1773.46 g/mol
• Exact Mass: 1772.17
• IUPAC Name: 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine
• SMILES: CC(=O)N1CCOc2ccc(C(C)(C)C)cc21.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)Oc1ccc(C(C)(C)C)cn1.COCCOc1ccc(C(C)(C)C)cc1F.COCCOc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C17H25NO2.C16H23NO3.C14H19NO2.C13H19FO2.C12H19NO2.C12H19NO.C12H18O2.C11H16O/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-16(2,3)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;1-10(16)15-7-8-17-13-6-5-11(9-12(13)15)14(2,3)4;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-12(2,3)10-5-6-11(13-9-10)15-8-7-14-4;1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-11(2,3)9-6-5-7-10(8-9)12-4/h4,7-8,13H,5-6,9-12H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-9H,1-5H3;4-6,9,13H,7-8H2,1-3H3;5-8H,1-4H3
• InChIKey: BNKCYXXZDVSRFL-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 208.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1773.46
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine?

The IUPAC name of 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine (CID 157403126) is 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine.

What is the SMILES notation for 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine?

The canonical SMILES for 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine is CC(=O)N1CCOc2ccc(C(C)(C)C)cc21.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)Oc1ccc(C(C)(C)C)cn1.COCCOc1ccc(C(C)(C)C)cc1F.COCCOc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.

What is the InChIKey of 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine?

The InChIKey is BNKCYXXZDVSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C16H23NO3.C14H19NO2.C13H19FO2.C12H19NO2.C12H19NO.C12H18O2.C11H16O/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-16(2,3)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;1-10(16)15-7-8-17-13-6-5-11(9-12(13)15)14(2,3)4;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-12(2,3)10-5-6-11(13-9-10)15-8-7-14-4;1-9(2)14-11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-11(2,3)9-6-5-7-10(8-9)12-4/h4,7-8,13H,5-6,9-12H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-9H,1-5H3;4-6,9,13H,7-8H2,1-3H3;5-8H,1-4H3.

What are the key properties of 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine?

1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine has a molecular weight of 1773.46 g/mol, XLogP of 22.39, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine is sourced from PubChem (CID 157403126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).