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)

C171H221ClF2N14O10 — CID 158976115

IUPAC3-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)
SMILESCC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc(O)cc1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C
InChIInChI=1S/4C14H16O.2C13H18N2O.2C12H17N3.2C12H16N2.C11H16O.C10H13ClO.2C10H13FO/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;2*1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;2*1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;2*1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;2*1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;2*1-10(2,3)9-7(11)5-4-6-8(9)12/h4*4-9,15H,1-3H3;2*5-6,16H,7H2,1-4H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);5-7,12H,1-4H3;3*4-6,12H,1-3H3
InChIKeyJOKKNKTWWYMIMO-UHFFFAOYSA-N
MW2706.19 g/mol
LogP44.53
Rot. Bonds2

About 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)

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) (PubChem CID 158976115) has the molecular formula C171H221ClF2N14O10 and a molecular weight of 2706.19 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name3-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)
PubChem CID158976115
Molecular FormulaC171H221ClF2N14O10
Molecular Weight2706.19 g/mol
Exact Mass2703.69
IUPAC Name3-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)
SMILESCC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc(O)cc1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C
InChIInChI=1S/4C14H16O.2C13H18N2O.2C12H17N3.2C12H16N2.C11H16O.C10H13ClO.2C10H13FO/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;2*1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;2*1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;2*1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;2*1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;2*1-10(2,3)9-7(11)5-4-6-8(9)12/h4*4-9,15H,1-3H3;2*5-6,16H,7H2,1-4H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);5-7,12H,1-4H3;3*4-6,12H,1-3H3
InChIKeyJOKKNKTWWYMIMO-UHFFFAOYSA-N
XLogP44.53
TPSA426.42 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.19
LogP ≤ 544.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze 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) with MolForge

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Related Compounds

4-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;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 159176019
bis(2-tert-butyl-3-fluorophenol);bis(4-tert-butyl-5-methyl-1H-indazole);bis(7-tert-butyl-6-methyl-1H-indazole);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 159778252
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;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;(4-tert-butyl-5-methyl-2H-indazol-3-yl)methanol;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol
CID 160635223
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
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
bis(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);bis(1-tert-butylnaphthalen-2-ol);bis(4-tert-butylnaphthalen-2-ol)
CID 161748827
3-chloro-5-methyl-4-propan-2-yl-2H-indazole;5-chloro-4-propan-2-yl-1H-indazole;1-cyclopropyl-2-propan-2-ylbenzene;1-(difluoromethyl)-3-fluoro-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-yl-2H-indazole;3-iodo-5-methyl-4-propan-2-yl-2H-indazole;2-methoxy-1-propan-2-ylnaphthalene;3-methoxy-1-propan-2-ylnaphthalene;5-methyl-4-propan-2-yl-1H-indazol-3-amine;5-methyl-4-propan-2-yl-1H-indazole;5-methyl-4-propan-2-yl-1H-indazole-3-carbonitrile;2-methyl-3-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;3-propan-2-yl-2H-indazole;4-propan-2-ylnaphthalen-2-ol
CID 167622659

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)ccc2ccccc12.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1Cl.Cc1ccc(O)cc1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]nc(N)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C.Cc1ccc2n[nH]c(CO)c2c1C(C)(C)C.
What is the InChIKey of 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)?
The InChIKey is JOKKNKTWWYMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H16O.2C13H18N2O.2C12H17N3.2C12H16N2.C11H16O.C10H13ClO.2C10H13FO/c2*1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;2*1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;2*1-8-5-6-9-11(10(7-16)15-14-9)12(8)13(2,3)4;2*1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;2*1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-10(2,3)8-6-7(12)4-5-9(8)11;2*1-10(2,3)9-7(11)5-4-6-8(9)12/h4*4-9,15H,1-3H3;2*5-6,16H,7H2,1-4H3,(H,14,15);2*5-6H,1-4H3,(H3,13,14,15);2*5-7H,1-4H3,(H,13,14);5-7,12H,1-4H3;3*4-6,12H,1-3H3.
What are the key properties of 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)?
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) has a molecular weight of 2706.19 g/mol, XLogP of 44.53, 2 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158976115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).