3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

C182H234ClF2N21O5 — CID 160998022

IUPAC3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ccccc12.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]nc(C#N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/2C14H16O.C14H16.C13H15N3.C13H18N2.2C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C10H13ClO.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-8-5-6-9-11(10(7-14)16-15-9)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H,15,16);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);2*4-6,12H,1-3H3
InChIKeyTVMRNMKYDTVMKW-UHFFFAOYSA-N
MW2869.46 g/mol
LogP48.69
Rot. Bonds

About 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol

3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (PubChem CID 160998022) has the molecular formula C182H234ClF2N21O5 and a molecular weight of 2869.46 g/mol. Its IUPAC name is 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.

Molecular Properties

Compound Name3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
PubChem CID160998022
Molecular FormulaC182H234ClF2N21O5
Molecular Weight2869.46 g/mol
Exact Mass2866.84
IUPAC Name3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ccccc12.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]nc(C#N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C
InChIInChI=1S/2C14H16O.C14H16.C13H15N3.C13H18N2.2C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C10H13ClO.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-8-5-6-9-11(10(7-14)16-15-9)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H,15,16);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);2*4-6,12H,1-3H3
InChIKeyTVMRNMKYDTVMKW-UHFFFAOYSA-N
XLogP48.69
TPSA435.10 Ų
H-Bond Donors16
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002869.46
LogP ≤ 548.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1017

Analyze 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol with MolForge

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Related Compounds

4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;bis(4-tert-butylnaphthalen-2-ol);4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158116559
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158142435
3-tert-butyl-4-chlorophenol;bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazol-3-amine);bis(4-tert-butyl-5-methyl-1H-indazole);bis((4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol);3-tert-butyl-4-methylphenol;bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 158976115
4-tert-butylbenzamide;tert-butylbenzene;3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;3-tert-butyl-4-methylphenol;4-tert-butylnaphthalen-2-ol;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159131411
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;bis(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159503097
3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
CID 160522033
4-tert-butyl-5-chloro-1H-indazole;3-tert-butyl-4-chlorophenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
CID 160580777
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-fluorobenzene;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 160593872
3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;4-tert-butylnaphthalen-2-ol
CID 161155207
3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;4-tert-butyl-5-methyl-1H-indole;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
CID 161515822
3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;4-tert-butyl-5-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 161675568

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The IUPAC name of 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol (CID 160998022) is 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol.
What is the SMILES notation for 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The canonical SMILES for 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol is CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ccccc12.Cc1cc(O)cc(C(C)(C)C)c1C.Cc1ccc2[nH]nc(C#N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(N)n[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
The InChIKey is TVMRNMKYDTVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16O.C14H16.C13H15N3.C13H18N2.2C12H17N3.2C12H16N2.C12H15N.C12H18O.C11H13FN2.C11H15N3.C10H13ClO.C10H13FO/c1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-8-5-6-9-11(10(7-14)16-15-9)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-7-5-6-8-10(14-15-11(8)13)9(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8-6-10(13)7-11(9(8)2)12(3,4)5;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12/h2*4-9,15H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H,15,16);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;6-7,13H,1-5H3;4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);2*4-6,12H,1-3H3.
What are the key properties of 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol?
3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol has a molecular weight of 2869.46 g/mol, XLogP of 48.69, 0 rotatable bonds, 16 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chlorophenol;4-tert-butyl-3,5-dimethyl-2H-indazole;3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carbonitrile;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 160998022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).