4-pentan-2-ylphenol

C11H16O — CID 7171

IUPAC4-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(O)cc1
InChIInChI=1S/C11H16O/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3
InChIKeyJTHGIRIGZAGNOX-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.30
Rot. Bonds3

About 4-pentan-2-ylphenol

4-pentan-2-ylphenol (PubChem CID 7171) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-pentan-2-ylphenol.

Molecular Properties

Compound Name4-pentan-2-ylphenol
PubChem CID7171
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(O)cc1
InChIInChI=1S/C11H16O/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3
InChIKeyJTHGIRIGZAGNOX-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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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-ylphenol?
The IUPAC name of 4-pentan-2-ylphenol (CID 7171) is 4-pentan-2-ylphenol.
What is the SMILES notation for 4-pentan-2-ylphenol?
The canonical SMILES for 4-pentan-2-ylphenol is CCCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-pentan-2-ylphenol?
The InChIKey is JTHGIRIGZAGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 4-pentan-2-ylphenol?
4-pentan-2-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 4-pentan-2-ylphenol is sourced from PubChem (CID 7171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).