2-butan-2-ylphenol

C10H14O — CID 6984

IUPAC2-butan-2-ylphenol
SMILESCCC(C)c1ccccc1O
InChIInChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChIKeyNGFPWHGISWUQOI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.91
Rot. Bonds2

About 2-butan-2-ylphenol

2-butan-2-ylphenol (PubChem CID 6984) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-butan-2-ylphenol.

Molecular Properties

Compound Name2-butan-2-ylphenol
PubChem CID6984
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-butan-2-ylphenol
SMILESCCC(C)c1ccccc1O
InChIInChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChIKeyNGFPWHGISWUQOI-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylphenol?
The IUPAC name of 2-butan-2-ylphenol (CID 6984) is 2-butan-2-ylphenol.
What is the SMILES notation for 2-butan-2-ylphenol?
The canonical SMILES for 2-butan-2-ylphenol is CCC(C)c1ccccc1O.
What is the InChIKey of 2-butan-2-ylphenol?
The InChIKey is NGFPWHGISWUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylphenol?
2-butan-2-ylphenol has a molecular weight of 150.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylphenol is sourced from PubChem (CID 6984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).