2-pentan-3-ylphenol

C11H16O — CID 13438939

IUPAC2-pentan-3-ylphenol
SMILESCCC(CC)c1ccccc1O
InChIInChI=1S/C11H16O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h5-9,12H,3-4H2,1-2H3
InChIKeyNRJNURQNUNRQKZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.30
Rot. Bonds3

About 2-pentan-3-ylphenol

2-pentan-3-ylphenol (PubChem CID 13438939) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-pentan-3-ylphenol.

Molecular Properties

Compound Name2-pentan-3-ylphenol
PubChem CID13438939
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-pentan-3-ylphenol
SMILESCCC(CC)c1ccccc1O
InChIInChI=1S/C11H16O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h5-9,12H,3-4H2,1-2H3
InChIKeyNRJNURQNUNRQKZ-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-ylphenol?
The IUPAC name of 2-pentan-3-ylphenol (CID 13438939) is 2-pentan-3-ylphenol.
What is the SMILES notation for 2-pentan-3-ylphenol?
The canonical SMILES for 2-pentan-3-ylphenol is CCC(CC)c1ccccc1O.
What is the InChIKey of 2-pentan-3-ylphenol?
The InChIKey is NRJNURQNUNRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 2-pentan-3-ylphenol?
2-pentan-3-ylphenol has a molecular weight of 164.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-ylphenol is sourced from PubChem (CID 13438939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).