2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol

C102H135F3O6 — CID 157360346

IUPAC2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)c1cc(C)c(O)c(C)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)c(C)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(C(C)(C)C)ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H24.C14H16O.C14H16.C13H17F3O.C12H18O.C11H16O.2C10H14O/c1-6-13(2)14-7-8-16-12-17(18(3,4)5)10-9-15(16)11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13)10(4)7-11;1-4-8(2)10-5-6-11(12)9(3)7-10;2*1-3-8(2)9-4-6-10(11)7-5-9/h7-13H,6H2,1-5H3;4-10,15H,3H2,1-2H3;4-11H,3H2,1-2H3;5-9,17H,4H2,1-3H3;6-8,13H,5H2,1-4H3;5-8,12H,4H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyBIOKQZFYBBTBRL-UHFFFAOYSA-N
MW1514.19 g/mol
LogP30.58
Rot. Bonds17

About 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol

2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 157360346) has the molecular formula C102H135F3O6 and a molecular weight of 1514.19 g/mol. Its IUPAC name is 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID157360346
Molecular FormulaC102H135F3O6
Molecular Weight1514.19 g/mol
Exact Mass1513.02
IUPAC Name2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)c1cc(C)c(O)c(C)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)c(C)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(C(C)(C)C)ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H24.C14H16O.C14H16.C13H17F3O.C12H18O.C11H16O.2C10H14O/c1-6-13(2)14-7-8-16-12-17(18(3,4)5)10-9-15(16)11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13)10(4)7-11;1-4-8(2)10-5-6-11(12)9(3)7-10;2*1-3-8(2)9-4-6-10(11)7-5-9/h7-13H,6H2,1-5H3;4-10,15H,3H2,1-2H3;4-11H,3H2,1-2H3;5-9,17H,4H2,1-3H3;6-8,13H,5H2,1-4H3;5-8,12H,4H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyBIOKQZFYBBTBRL-UHFFFAOYSA-N
XLogP30.58
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.19
LogP ≤ 530.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

butan-2-ylbenzene;6-butan-2-ylnaphthalen-2-ol;(4-butan-2-ylphenyl)methanol
CID 161227870
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CID 161373034
4-butan-2-yl-2,6-dimethylphenol;(4-butan-2-yl-2-hydroxyphenyl) acetate;(5-butan-2-yl-2-hydroxyphenyl) acetate;4-butan-2-yl-2-methoxyphenol;4-butan-2-yl-2-methylphenol;1-butan-2-ylnaphthalen-2-ol;2-butan-2-ylnaphthalen-1-ol;4-butan-2-ylnaphthalen-1-ol;5-butan-2-ylnaphthalen-1-ol;6-butan-2-ylnaphthalen-2-ol;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;(4-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;4-(2-methylbutan-2-yl)phenol
CID 159908727
benzene-1,2-diol;benzene-1,4-diol;4-tert-butylphenol;2,6-dimethylphenol;ethane;2-methylphenol;4-methylphenol;naphthalen-1-ol;naphthalen-2-ol;phenol;2,4,6-trimethylphenol
CID 158764356
2-butan-2-ylnaphthalene;2,3-dimethylbutanedioic acid;2-methyl-2-(trifluoromethyl)butanoic acid
CID 160998631
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 143042137
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
5-(4-butan-2-ylanilino)pentanoic acid;1-butan-2-ylnaphthalene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 162053716
butan-2-ylbenzene;1-butan-2-ylnaphthalene;2-butan-2-ylnaphthalene;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;ethane;methane;naphthalen-2-yl 2,2-dimethylbutanoate;phenyl 2,2-dimethylbutanoate
CID 158585618
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol (CID 157360346) is 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol is CCC(C)c1cc(C)c(O)c(C)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)c(C)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(C(C)(C)C)ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BIOKQZFYBBTBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C14H16O.C14H16.C13H17F3O.C12H18O.C11H16O.2C10H14O/c1-6-13(2)14-7-8-16-12-17(18(3,4)5)10-9-15(16)11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-8(2)11-6-9(3)12(13)10(4)7-11;1-4-8(2)10-5-6-11(12)9(3)7-10;2*1-3-8(2)9-4-6-10(11)7-5-9/h7-13H,6H2,1-5H3;4-10,15H,3H2,1-2H3;4-11H,3H2,1-2H3;5-9,17H,4H2,1-3H3;6-8,13H,5H2,1-4H3;5-8,12H,4H2,1-3H3;2*4-8,11H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 1514.19 g/mol, XLogP of 30.58, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 157360346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).