5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol

C196H252ClIN6O15S — CID 158918852

IUPAC5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol
SMILESC=CCOc1ccc(C(C)(C)C)cc1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(I)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1ccc2scnc2c1.CC(C)Cn1cnc2cc(C(C)(C)C)ccc21.CC(C)c1cc2c(cc1Cl)OCO2.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1O.Cc1cc(C(C)(C)C)cc(C)c1O.[C-]#[N+]c1cc(OC)cc(C(C)(C)C)c1
InChIInChI=1S/C17H20O.C16H18.C15H22N2.C15H16O.C13H18O.C13H20.C12H15NO.C12H17NO.C12H18O.C11H13NS.C11H14O2.C10H11ClO2.C10H13I.C10H13NO2.C10H12O2.C9H12O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)9-17-10-16-13-8-12(15(3,4)5)6-7-14(13)17;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-12(2,3)9-6-10(13-4)8-11(7-9)14-5;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-8-6-10(12(3,4)5)7-9(2)11(8)13;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-3-4-6-9(8)10/h4-12H,13H2,1-3H3;4-12H,1-3H3;6-8,10-11H,9H2,1-5H3;3-12H,1-2H3;5-9H,1,10H2,2-4H3;6-10H,1-5H3;6-8H,1-3,5H3;5-8H,1-4H3,(H,13,14);6-7,13H,1-5H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-7,10H,1-2H3
InChIKeyJHORZGNUZFZJFV-UHFFFAOYSA-N
MW3126.62 g/mol
LogP56.16
Rot. Bonds20

About 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol

5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol (PubChem CID 158918852) has the molecular formula C196H252ClIN6O15S and a molecular weight of 3126.62 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol
PubChem CID158918852
Molecular FormulaC196H252ClIN6O15S
Molecular Weight3126.62 g/mol
Exact Mass3123.76
IUPAC Name5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol
SMILESC=CCOc1ccc(C(C)(C)C)cc1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(I)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1ccc2scnc2c1.CC(C)Cn1cnc2cc(C(C)(C)C)ccc21.CC(C)c1cc2c(cc1Cl)OCO2.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1O.Cc1cc(C(C)(C)C)cc(C)c1O.[C-]#[N+]c1cc(OC)cc(C(C)(C)C)c1
InChIInChI=1S/C17H20O.C16H18.C15H22N2.C15H16O.C13H18O.C13H20.C12H15NO.C12H17NO.C12H18O.C11H13NS.C11H14O2.C10H11ClO2.C10H13I.C10H13NO2.C10H12O2.C9H12O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)9-17-10-16-13-8-12(15(3,4)5)6-7-14(13)17;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-12(2,3)9-6-10(13-4)8-11(7-9)14-5;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-8-6-10(12(3,4)5)7-9(2)11(8)13;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-3-4-6-9(8)10/h4-12H,13H2,1-3H3;4-12H,1-3H3;6-8,10-11H,9H2,1-5H3;3-12H,1-2H3;5-9H,1,10H2,2-4H3;6-10H,1-5H3;6-8H,1-3,5H3;5-8H,1-4H3,(H,13,14);6-7,13H,1-5H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-7,10H,1-2H3
InChIKeyJHORZGNUZFZJFV-UHFFFAOYSA-N
XLogP56.16
TPSA240.07 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.62
LogP ≤ 556.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol with MolForge

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Related Compounds

N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
1-[(4-nitrophenyl)methoxy]-3-propan-2-ylbenzene
CID 155228250
methane;1-methyl-3-propan-2-ylbenzene;1-nitro-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 158098146
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(2-chloro-4-nitrophenyl)methanone
CID 42730107
3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 161460824
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-prop-2-enoxybenzamide
CID 133230488
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-(5-nitro-1,3-dihydroisoindol-2-yl)methanone
CID 66672501
4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;2-(4-hydroxyphenyl)sulfonylphenol;4-(4-hydroxyphenyl)sulfonylphenol;4-[4-(methoxymethoxy)phenyl]sulfonylphenol;4-(4-methoxyphenyl)sulfonylphenol;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenol;4-(4-phenylmethoxyphenyl)sulfonylphenol;4-(4-prop-2-enoxyphenyl)sulfonylphenol
CID 158424359
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19452355

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol?
The IUPAC name of 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol (CID 158918852) is 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol.
What is the SMILES notation for 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol?
The canonical SMILES for 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol is C=CCOc1ccc(C(C)(C)C)cc1.CC(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(I)cc1.CC(C)(C)c1ccc(OCc2ccccc2)cc1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1ccc2scnc2c1.CC(C)Cn1cnc2cc(C(C)(C)C)ccc21.CC(C)c1cc2c(cc1Cl)OCO2.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1O.Cc1cc(C(C)(C)C)cc(C)c1O.[C-]#[N+]c1cc(OC)cc(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol?
The InChIKey is JHORZGNUZFZJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C16H18.C15H22N2.C15H16O.C13H18O.C13H20.C12H15NO.C12H17NO.C12H18O.C11H13NS.C11H14O2.C10H11ClO2.C10H13I.C10H13NO2.C10H12O2.C9H12O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-11(2)9-17-10-16-13-8-12(15(3,4)5)6-7-14(13)17;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-12(2,3)9-6-10(13-4)8-11(7-9)14-5;1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;1-8-6-10(12(3,4)5)7-9(2)11(8)13;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-3-4-6-9(8)10/h4-12H,13H2,1-3H3;4-12H,1-3H3;6-8,10-11H,9H2,1-5H3;3-12H,1-2H3;5-9H,1,10H2,2-4H3;6-10H,1-5H3;6-8H,1-3,5H3;5-8H,1-4H3,(H,13,14);6-7,13H,1-5H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-7,10H,1-2H3.
What are the key properties of 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol?
5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol has a molecular weight of 3126.62 g/mol, XLogP of 56.16, 20 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,6-dimethylphenol;1-tert-butyl-4-iodobenzene;1-tert-butyl-3-isocyano-5-methoxybenzene;5-tert-butyl-1-(2-methylpropyl)benzimidazole;1-tert-butyl-4-nitrobenzene;N-(4-tert-butylphenyl)acetamide;1-tert-butyl-4-phenylbenzene;1-tert-butyl-4-phenylmethoxybenzene;1-tert-butyl-4-propan-2-ylbenzene;1-tert-butyl-4-prop-2-enoxybenzene;5-chloro-6-propan-2-yl-1,3-benzodioxole;1-phenoxy-3-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylphenol is sourced from PubChem (CID 158918852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).