4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine

C147H175BrClF2N11O7 — CID 159379357

IUPAC4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(Br)cc1F.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)c1cc(Oc2ccccc2)ccn1.CC(C)c1ccc(CN2CCOCC2)cn1.CC(C)c1ccc(Oc2ccccc2)cn1.CC(C)c1ccc(Oc2ccccc2)nc1.CC(C)c1ccnc(Oc2ccccc2)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C17H18ClFO.C17H19N3O.4C14H15NO.C13H20N2O.C12H15N.C12H17N.C10H12BrF.C10H14/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-11(2)12-8-9-15-14(10-12)16-13-6-4-3-5-7-13;1-11(2)12-8-9-14(15-10-12)16-13-6-4-3-5-7-13;1-11(2)14-10-13(8-9-15-14)16-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-15-14)16-12-6-4-3-5-7-12;1-11(2)13-4-3-12(9-14-13)10-15-5-7-16-8-6-15;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)9-7-5-4-6-8-9/h4-10H,11H2,1-3H3;5-11H,1-4H3;4*3-11H,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-6H,1-3H3;4-8H,1-3H3
InChIKeyLKSBFQRAHSXFLM-UHFFFAOYSA-N
MW2361.44 g/mol
LogP40.69
Rot. Bonds20

About 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine

4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine (PubChem CID 159379357) has the molecular formula C147H175BrClF2N11O7 and a molecular weight of 2361.44 g/mol. Its IUPAC name is 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine
PubChem CID159379357
Molecular FormulaC147H175BrClF2N11O7
Molecular Weight2361.44 g/mol
Exact Mass2358.25
IUPAC Name4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(Br)cc1F.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)c1cc(Oc2ccccc2)ccn1.CC(C)c1ccc(CN2CCOCC2)cn1.CC(C)c1ccc(Oc2ccccc2)cn1.CC(C)c1ccc(Oc2ccccc2)nc1.CC(C)c1ccnc(Oc2ccccc2)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C17H18ClFO.C17H19N3O.4C14H15NO.C13H20N2O.C12H15N.C12H17N.C10H12BrF.C10H14/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-11(2)12-8-9-15-14(10-12)16-13-6-4-3-5-7-13;1-11(2)12-8-9-14(15-10-12)16-13-6-4-3-5-7-13;1-11(2)14-10-13(8-9-15-14)16-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-15-14)16-12-6-4-3-5-7-12;1-11(2)13-4-3-12(9-14-13)10-15-5-7-16-8-6-15;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)9-7-5-4-6-8-9/h4-10H,11H2,1-3H3;5-11H,1-4H3;4*3-11H,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-6H,1-3H3;4-8H,1-3H3
InChIKeyLKSBFQRAHSXFLM-UHFFFAOYSA-N
XLogP40.69
TPSA181.52 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002361.44
LogP ≤ 540.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine?
The IUPAC name of 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine (CID 159379357) is 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine is CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1ccc(Br)cc1F.CC(C)(C)c1ccc(OCc2cccc(F)c2)c(Cl)c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)c1cc(Oc2ccccc2)ccn1.CC(C)c1ccc(CN2CCOCC2)cn1.CC(C)c1ccc(Oc2ccccc2)cn1.CC(C)c1ccc(Oc2ccccc2)nc1.CC(C)c1ccnc(Oc2ccccc2)c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine?
The InChIKey is LKSBFQRAHSXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO.C17H19N3O.4C14H15NO.C13H20N2O.C12H15N.C12H17N.C10H12BrF.C10H14/c1-17(2,3)13-7-8-16(15(18)10-13)20-11-12-5-4-6-14(19)9-12;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-11(2)12-8-9-15-14(10-12)16-13-6-4-3-5-7-13;1-11(2)12-8-9-14(15-10-12)16-13-6-4-3-5-7-13;1-11(2)14-10-13(8-9-15-14)16-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-15-14)16-12-6-4-3-5-7-12;1-11(2)13-4-3-12(9-14-13)10-15-5-7-16-8-6-15;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)9-7-5-4-6-8-9/h4-10H,11H2,1-3H3;5-11H,1-4H3;4*3-11H,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-6H,1-3H3;4-8H,1-3H3.
What are the key properties of 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine?
4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine has a molecular weight of 2361.44 g/mol, XLogP of 40.69, 20 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-tert-butyl-2-fluorobenzene;tert-butylbenzene;4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;2-phenoxy-4-propan-2-ylpyridine;2-phenoxy-5-propan-2-ylpyridine;4-phenoxy-2-propan-2-ylpyridine;5-phenoxy-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine is sourced from PubChem (CID 159379357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).