1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone

C160H234BrF2N3O9S2 — CID 159794797

IUPAC1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone
SMILESC.CC.CC(=O)c1ccc(C(C)C)o1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(OC(F)F)c1.CCNC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cs1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.[H][2H]
InChIInChI=1S/C12H17NO.C11H16.C10H12F2O.C10H14O.4C10H14.C9H11Br.C9H13N.C9H12O2.4C8H12O.C8H12S.C7H11NS.C2H6.CH4.H2/c1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-5-9(11-8)7(3)10;4*1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7;1-2;;/h5-9H,4H2,1-3H3,(H,13,14);5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3;1-2H3;1H4;1H/i;;;;;;;;;;;;;;;;;;;1+1
InChIKeyNJAKESVSWIBEBV-RQHGZCKJSA-N
MW2526.68 g/mol
LogP51.89
Rot. Bonds23

About 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone

1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone (PubChem CID 159794797) has the molecular formula C160H234BrF2N3O9S2 and a molecular weight of 2526.68 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone
PubChem CID159794797
Molecular FormulaC160H234BrF2N3O9S2
Molecular Weight2526.68 g/mol
Exact Mass2523.66
IUPAC Name1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone
SMILESC.CC.CC(=O)c1ccc(C(C)C)o1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(OC(F)F)c1.CCNC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cs1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.[H][2H]
InChIInChI=1S/C12H17NO.C11H16.C10H12F2O.C10H14O.4C10H14.C9H11Br.C9H13N.C9H12O2.4C8H12O.C8H12S.C7H11NS.C2H6.CH4.H2/c1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-5-9(11-8)7(3)10;4*1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7;1-2;;/h5-9H,4H2,1-3H3,(H,13,14);5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3;1-2H3;1H4;1H/i;;;;;;;;;;;;;;;;;;;1+1
InChIKeyNJAKESVSWIBEBV-RQHGZCKJSA-N
XLogP51.89
TPSA156.11 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002526.68
LogP ≤ 551.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone with MolForge

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Related Compounds

1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene
CID 161225427
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide
CID 99815193
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
CID 157067225
N-[2-[[[[4-(difluoromethoxy)phenyl]methyl-methylamino]-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111288398
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone (CID 159794797) is 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone is C.CC.CC(=O)c1ccc(C(C)C)o1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(OC(F)F)c1.CCNC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cs1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.[H][2H].
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone?
The InChIKey is NJAKESVSWIBEBV-RQHGZCKJSA-N. The full InChI is InChI=1S/C12H17NO.C11H16.C10H12F2O.C10H14O.4C10H14.C9H11Br.C9H13N.C9H12O2.4C8H12O.C8H12S.C7H11NS.C2H6.CH4.H2/c1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-4-5-9(11-8)7(3)10;4*1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7;1-2;;/h5-9H,4H2,1-3H3,(H,13,14);5-8H,1-4H3;3-7,10H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3;1-2H3;1H4;1H/i;;;;;;;;;;;;;;;;;;;1+1.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone?
1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone has a molecular weight of 2526.68 g/mol, XLogP of 51.89, 23 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;deuterium monohydride;1-(difluoromethoxy)-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;ethane;N-ethyl-3-propan-2-ylbenzamide;methane;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);tetrakis(2-methyl-5-propan-2-ylfuran);3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;1-(5-propan-2-ylfuran-2-yl)ethanone is sourced from PubChem (CID 159794797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).