4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol

C147H219Cl2FN6O15 — CID 161233688

About 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol

4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (PubChem CID 161233688) has the molecular formula C147H219Cl2FN6O15 and a molecular weight of 2400.30 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
• PubChem CID: 161233688
• Molecular Formula: C147H219Cl2FN6O15
• Molecular Weight: 2400.30 g/mol
• Exact Mass: 2397.59
• IUPAC Name: 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
• SMILES: CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1.COCCOc1ccc(C(C)(C)C)cc1F.COc1cc(C(C)(C)C)ccc1Cl
• InChI: InChI=1S/2C17H27NO.C16H18ClNO.C16H26N2O.C16H23NO2.2C14H22O2.C13H19FO2.C13H20O2.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;4-10H,11H2,1-3H3;4-6,13,19H,7-12H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;2*6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-8H,9-10H2,1-4H3;5-7H,1-4H3
• InChIKey: UZBYFTQHMSZQHB-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 208.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2400.30
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?

The IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (CID 161233688) is 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.

What is the SMILES notation for 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?

The canonical SMILES for 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1ccc(OCCN2CCCC2=O)cc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CC(C)(O)COc1ccc(C(C)(C)C)cc1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1.COCCOc1ccc(C(C)(C)C)cc1F.COc1cc(C(C)(C)C)ccc1Cl.

What is the InChIKey of 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?

The InChIKey is UZBYFTQHMSZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H27NO.C16H18ClNO.C16H26N2O.C16H23NO2.2C14H22O2.C13H19FO2.C13H20O2.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-16(2,3)13-6-8-14(9-7-13)19-12-11-17-10-4-5-15(17)18;1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-13(2,3)11-5-7-12(8-6-11)15-10-9-14-4;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;4-10H,11H2,1-3H3;4-6,13,19H,7-12H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;2*6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;5-8H,9-10H2,1-4H3;5-7H,1-4H3.

What are the key properties of 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?

4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol has a molecular weight of 2400.30 g/mol, XLogP of 33.18, 31 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-chloro-2-methoxybenzene;2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-4-(2-methoxyethoxy)benzene;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 161233688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).