bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)

C146H208O15 — CID 161104113

About bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)

bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol) (PubChem CID 161104113) has the molecular formula C146H208O15 and a molecular weight of 2203.25 g/mol. Its IUPAC name is bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol).

Molecular Properties

• Compound Name: bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)
• PubChem CID: 161104113
• Molecular Formula: C146H208O15
• Molecular Weight: 2203.25 g/mol
• Exact Mass: 2201.55
• IUPAC Name: bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)
• SMILES: CCC(C)c1cc(CO)c(OC)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC)c(OC)c1.CCC(C)c1ccc(OC)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1ccccc1.CCC(C)c1ccccc1.CCC(C)c1ccccc1O
• InChI: InChI=1S/C13H20O3.C12H18O2.C11H16O.9C10H14O.2C10H14/c1-5-9(2)10-6-11(8-14)13(16-4)12(7-10)15-3;1-5-9(2)10-6-7-11(13-3)12(8-10)14-4;1-4-9(2)10-5-7-11(12-3)8-6-10;6*1-3-8(2)9-4-6-10(11)7-5-9;2*1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11;2*1-3-9(2)10-7-5-4-6-8-10/h6-7,9,14H,5,8H2,1-4H3;6-9H,5H2,1-4H3;5-9H,4H2,1-3H3;9*4-8,11H,3H2,1-2H3;2*4-9H,3H2,1-2H3
• InChIKey: UIUYOALPOKNQCQ-UHFFFAOYSA-N
• XLogP: 41.69
• TPSA: 248.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 34
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2203.25
LogP ≤ 5	41.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)?

The IUPAC name of bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol) (CID 161104113) is bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol).

What is the SMILES notation for bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)?

The canonical SMILES for bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol) is CCC(C)c1cc(CO)c(OC)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC)c(OC)c1.CCC(C)c1ccc(OC)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1ccccc1.CCC(C)c1ccccc1.CCC(C)c1ccccc1O.

What is the InChIKey of bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)?

The InChIKey is UIUYOALPOKNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3.C12H18O2.C11H16O.9C10H14O.2C10H14/c1-5-9(2)10-6-11(8-14)13(16-4)12(7-10)15-3;1-5-9(2)10-6-7-11(13-3)12(8-10)14-4;1-4-9(2)10-5-7-11(12-3)8-6-10;6*1-3-8(2)9-4-6-10(11)7-5-9;2*1-3-8(2)9-5-4-6-10(11)7-9;1-3-8(2)9-6-4-5-7-10(9)11;2*1-3-9(2)10-7-5-4-6-8-10/h6-7,9,14H,5,8H2,1-4H3;6-9H,5H2,1-4H3;5-9H,4H2,1-3H3;9*4-8,11H,3H2,1-2H3;2*4-9H,3H2,1-2H3.

What are the key properties of bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol)?

bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol) has a molecular weight of 2203.25 g/mol, XLogP of 41.69, 34 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(butan-2-ylbenzene);4-butan-2-yl-1,2-dimethoxybenzene;(5-butan-2-yl-2,3-dimethoxyphenyl)methanol;1-butan-2-yl-4-methoxybenzene;2-butan-2-ylphenol;bis(3-butan-2-ylphenol);hexakis(4-butan-2-ylphenol) is sourced from PubChem (CID 161104113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).