4-butan-2-ylphenol

C10H14O — CID 7453

IUPAC4-butan-2-ylphenol
SMILESCCC(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
InChIKeyZUTYZAFDFLLILI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.91
Rot. Bonds2

About 4-butan-2-ylphenol

4-butan-2-ylphenol (PubChem CID 7453) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-butan-2-ylphenol.

Molecular Properties

Compound Name4-butan-2-ylphenol
PubChem CID7453
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-butan-2-ylphenol
SMILESCCC(C)c1ccc(O)cc1
InChIInChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
InChIKeyZUTYZAFDFLLILI-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

Analyze 4-butan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylphenol?
The IUPAC name of 4-butan-2-ylphenol (CID 7453) is 4-butan-2-ylphenol.
What is the SMILES notation for 4-butan-2-ylphenol?
The canonical SMILES for 4-butan-2-ylphenol is CCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-butan-2-ylphenol?
The InChIKey is ZUTYZAFDFLLILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylphenol?
4-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 4-butan-2-ylphenol is sourced from PubChem (CID 7453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).