5-methyl-2-pentan-3-ylphenol

C12H18O — CID 67240040

IUPAC5-methyl-2-pentan-3-ylphenol
SMILESCCC(CC)c1ccc(C)cc1O
InChIInChI=1S/C12H18O/c1-4-10(5-2)11-7-6-9(3)8-12(11)13/h6-8,10,13H,4-5H2,1-3H3
InChIKeyJZGGFCLGFITKDY-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.60
Rot. Bonds3

About 5-methyl-2-pentan-3-ylphenol

5-methyl-2-pentan-3-ylphenol (PubChem CID 67240040) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 5-methyl-2-pentan-3-ylphenol.

Molecular Properties

Compound Name5-methyl-2-pentan-3-ylphenol
PubChem CID67240040
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name5-methyl-2-pentan-3-ylphenol
SMILESCCC(CC)c1ccc(C)cc1O
InChIInChI=1S/C12H18O/c1-4-10(5-2)11-7-6-9(3)8-12(11)13/h6-8,10,13H,4-5H2,1-3H3
InChIKeyJZGGFCLGFITKDY-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
2-(1-fluorobutyl)-5-methylphenol
CID 90020134
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977725
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
2-hex-5-en-3-yl-4-methylphenol
CID 83922900

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentan-3-ylphenol?
The IUPAC name of 5-methyl-2-pentan-3-ylphenol (CID 67240040) is 5-methyl-2-pentan-3-ylphenol.
What is the SMILES notation for 5-methyl-2-pentan-3-ylphenol?
The canonical SMILES for 5-methyl-2-pentan-3-ylphenol is CCC(CC)c1ccc(C)cc1O.
What is the InChIKey of 5-methyl-2-pentan-3-ylphenol?
The InChIKey is JZGGFCLGFITKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-10(5-2)11-7-6-9(3)8-12(11)13/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-pentan-3-ylphenol?
5-methyl-2-pentan-3-ylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentan-3-ylphenol is sourced from PubChem (CID 67240040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).