2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol

C172H263N9O20S3 — CID 157167250

IUPAC2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
SMILESCC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(COCCO)nc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(NCCO)nc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1
InChIInChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO2.C12H19NO.C12H18O2.C12H18O.C11H18N2O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-5-11(13-8-10)9-15-7-6-14;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(13-8-9)12-6-7-14;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,14H,6-7H2,1-3H3,(H,12,13);4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyANBFNXGDGHQGDX-UHFFFAOYSA-N
MW2873.24 g/mol
LogP33.76
Rot. Bonds35

About 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol

2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol (PubChem CID 157167250) has the molecular formula C172H263N9O20S3 and a molecular weight of 2873.24 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
PubChem CID157167250
Molecular FormulaC172H263N9O20S3
Molecular Weight2873.24 g/mol
Exact Mass2870.90
IUPAC Name2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
SMILESCC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(COCCO)nc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(NCCO)nc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1
InChIInChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO2.C12H19NO.C12H18O2.C12H18O.C11H18N2O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-5-11(13-8-10)9-15-7-6-14;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(13-8-9)12-6-7-14;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,14H,6-7H2,1-3H3,(H,12,13);4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyANBFNXGDGHQGDX-UHFFFAOYSA-N
XLogP33.76
TPSA469.06 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002873.24
LogP ≤ 533.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157333199
Bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol
CID 157717186
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;bis(1-(4-propan-2-ylphenyl)piperazine);4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157878844
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 158304126
5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
CID 158326558
5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159237123
2-(4-Tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
CID 159584409
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 160735769
1-(Benzylamino)-3-butoxypropan-2-ol;1-benzylsulfanyl-3-butoxypropan-2-ol;1-butoxy-3-phenylmethoxypropan-2-ol;1-butoxy-3-(pyridin-2-ylamino)propan-2-ol;1-butoxy-3-(pyridin-2-ylmethoxy)propan-2-ol;1-butoxy-3-pyridin-2-yloxypropan-2-ol;1-butoxy-3-pyridin-2-ylsulfanylpropan-2-ol
CID 161094823
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;N-(4-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 161456969

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The IUPAC name of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol (CID 157167250) is 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol is CC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(COCCO)nc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(NCCO)nc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.
What is the InChIKey of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The InChIKey is ANBFNXGDGHQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO2.C12H19NO.C12H18O2.C12H18O.C11H18N2O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-5-11(13-8-10)9-15-7-6-14;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(13-8-9)12-6-7-14;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,14H,6-7H2,1-3H3,(H,12,13);4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol has a molecular weight of 2873.24 g/mol, XLogP of 33.76, 35 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol is sourced from PubChem (CID 157167250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).