4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol

C16H26O — CID 67779766

IUPAC4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
SMILESCCCC(C)c1cc(C(C)(C)CC)ccc1O
InChIInChI=1S/C16H26O/c1-6-8-12(3)14-11-13(9-10-15(14)17)16(4,5)7-2/h9-12,17H,6-8H2,1-5H3
InChIKeyHWHBXMOFLDKYNN-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.98
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol

4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol (PubChem CID 67779766) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
PubChem CID67779766
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
SMILESCCCC(C)c1cc(C(C)(C)CC)ccc1O
InChIInChI=1S/C16H26O/c1-6-8-12(3)14-11-13(9-10-15(14)17)16(4,5)7-2/h9-12,17H,6-8H2,1-5H3
InChIKeyHWHBXMOFLDKYNN-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
2,4-bis(2,4-dimethylheptan-2-yl)phenol
CID 20502107
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
CID 144814038
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol (CID 67779766) is 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol is CCCC(C)c1cc(C(C)(C)CC)ccc1O.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol?
The InChIKey is HWHBXMOFLDKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-8-12(3)14-11-13(9-10-15(14)17)16(4,5)7-2/h9-12,17H,6-8H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol?
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol has a molecular weight of 234.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol is sourced from PubChem (CID 67779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).