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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol

C160H236Cl2FN7O17 — CID 157160033

IUPAC4-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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1F.COc1cc(C(C)(C)C)ccc1Cl.COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H25NO2.2C17H27NO.C16H18ClNO.C16H26N2O.C16H23NO3.C14H22O2.C13H19FO2.C12H18O2.C11H15ClO.C11H16O/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-17(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)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;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;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)9-6-5-7-10(8-9)12-4/h4,7-8,13H,5-6,9-12H2,1-3H3;5,8-9,11,14H,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;4-6,11H,7-10,12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;5-7H,1-4H3;5-8H,1-4H3
InChIKeyAMGMJHAJYOCRLJ-UHFFFAOYSA-N
MW2619.58 g/mol
LogP34.99
Rot. Bonds32

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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (PubChem CID 157160033) has the molecular formula C160H236Cl2FN7O17 and a molecular weight of 2619.58 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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name4-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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
PubChem CID157160033
Molecular FormulaC160H236Cl2FN7O17
Molecular Weight2619.58 g/mol
Exact Mass2616.72
IUPAC Name4-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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1F.COc1cc(C(C)(C)C)ccc1Cl.COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H25NO2.2C17H27NO.C16H18ClNO.C16H26N2O.C16H23NO3.C14H22O2.C13H19FO2.C12H18O2.C11H15ClO.C11H16O/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-17(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)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;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;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)9-6-5-7-10(8-9)12-4/h4,7-8,13H,5-6,9-12H2,1-3H3;5,8-9,11,14H,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;4-6,11H,7-10,12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;5-7H,1-4H3;5-8H,1-4H3
InChIKeyAMGMJHAJYOCRLJ-UHFFFAOYSA-N
XLogP34.99
TPSA237.92 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.58
LogP ≤ 534.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol with MolForge

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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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (CID 157160033) 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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OCC(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(OCCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCO)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1F.COc1cc(C(C)(C)C)ccc1Cl.COc1cccc(C(C)(C)C)c1.
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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?
The InChIKey is AMGMJHAJYOCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.2C17H27NO.C16H18ClNO.C16H26N2O.C16H23NO3.C14H22O2.C13H19FO2.C12H18O2.C11H15ClO.C11H16O/c1-17(2,3)14-7-4-8-15(13-14)20-12-6-11-18-10-5-9-16(18)19;1-17(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)13-5-4-6-14(11-13)20-12-15(18)17-7-9-19-10-8-17;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;1-12(2,3)10-5-4-6-11(9-10)14-8-7-13;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-11(2,3)9-6-5-7-10(8-9)12-4/h4,7-8,13H,5-6,9-12H2,1-3H3;5,8-9,11,14H,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;4-6,11H,7-10,12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-6,9,13H,7-8H2,1-3H3;5-7H,1-4H3;5-8H,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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol has a molecular weight of 2619.58 g/mol, XLogP of 34.99, 32 rotatable bonds, 3 hydrogen bond donors, and 22 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-3-methoxybenzene;2-(3-tert-butylphenoxy)ethanol;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 157160033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).