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

C213H272O28 — CID 159908727

About 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

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 (PubChem CID 159908727) has the molecular formula C213H272O28 and a molecular weight of 3280.49 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159908727
• Molecular Formula: C213H272O28
• Molecular Weight: 3280.49 g/mol
• Exact Mass: 3277.99
• IUPAC Name: 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
• SMILES: CCC(C)(C)C(=O)Oc1ccc(O)c2ccccc12.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(O)ccc2c1.CCC(C)(C)c1ccc(O)cc1.CCC(C)c1c(O)ccc2ccccc12.CCC(C)c1cc(C)c(O)c(C)c1.CCC(C)c1ccc(O)c(C)c1.CCC(C)c1ccc(O)c(OC(C)=O)c1.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)c2ccccc12.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)=O)c(O)c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccc2ccccc2c1O.CCC(C)c1cccc(O)c1.CCC(C)c1cccc2c(O)cccc12.CCC(C)c1ccccc1O
• InChI: InChI=1S/2C16H18O3.5C14H16O.3C12H16O3.C12H18O.C11H16O2.2C11H16O.3C10H14O/c1-4-16(2,3)15(18)19-14-8-6-11-9-13(17)7-5-12(11)10-14;1-4-16(2,3)15(18)19-14-10-9-13(17)11-7-5-6-8-12(11)14;1-3-10(2)11-6-4-8-13-12(11)7-5-9-14(13)15;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13;1-3-10(2)12-9-8-11-6-4-5-7-13(11)14(12)15;1-3-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-4-8(2)10-5-6-12(11(14)7-10)15-9(3)13;1-4-8(2)10-5-6-11(14)12(7-10)15-9(3)13;1-5-8(2)11-6-9(3)12(13)10(4)7-11;1-4-8(2)9-5-6-10(12)11(7-9)13-3;1-4-11(2,3)9-5-7-10(12)8-6-9;1-4-8(2)10-5-6-11(12)9(3)7-10;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11/h2*5-10,17H,4H2,1-3H3;5*4-10,15H,3H2,1-2H3;5-8,13H,4H2,1-3H3;2*5-8,14H,4H2,1-3H3;6-8,13H,5H2,1-4H3;5-8,12H,4H2,1-3H3;2*5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3
• InChIKey: NWXDHDNJOFKOPD-UHFFFAOYSA-N
• XLogP: 57.91
• TPSA: 484.64 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3280.49
LogP ≤ 5	57.91
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(C)(C)C(=O)Oc1ccc(O)c2ccccc12.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc2cc(O)ccc2c1.CCC(C)(C)c1ccc(O)cc1.CCC(C)c1c(O)ccc2ccccc12.CCC(C)c1cc(C)c(O)c(C)c1.CCC(C)c1ccc(O)c(C)c1.CCC(C)c1ccc(O)c(OC(C)=O)c1.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)c2ccccc12.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)=O)c(O)c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccc2ccccc2c1O.CCC(C)c1cccc(O)c1.CCC(C)c1cccc2c(O)cccc12.CCC(C)c1ccccc1O.

What is the InChIKey of 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?

The InChIKey is NWXDHDNJOFKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18O3.5C14H16O.3C12H16O3.C12H18O.C11H16O2.2C11H16O.3C10H14O/c1-4-16(2,3)15(18)19-14-8-6-11-9-13(17)7-5-12(11)10-14;1-4-16(2,3)15(18)19-14-10-9-13(17)11-7-5-6-8-12(11)14;1-3-10(2)11-6-4-8-13-12(11)7-5-9-14(13)15;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13;1-3-10(2)12-9-8-11-6-4-5-7-13(11)14(12)15;1-3-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-4-8(2)10-5-6-12(11(14)7-10)15-9(3)13;1-4-8(2)10-5-6-11(14)12(7-10)15-9(3)13;1-5-8(2)11-6-9(3)12(13)10(4)7-11;1-4-8(2)9-5-6-10(12)11(7-9)13-3;1-4-11(2,3)9-5-7-10(12)8-6-9;1-4-8(2)10-5-6-11(12)9(3)7-10;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11/h2*5-10,17H,4H2,1-3H3;5*4-10,15H,3H2,1-2H3;5-8,13H,4H2,1-3H3;2*5-8,14H,4H2,1-3H3;6-8,13H,5H2,1-4H3;5-8,12H,4H2,1-3H3;2*5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 3280.49 g/mol, XLogP of 57.91, 40 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159908727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).