2-methyl-5-pentan-2-ylphenol

C12H18O — CID 130033342

IUPAC2-methyl-5-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C12H18O/c1-4-5-9(2)11-7-6-10(3)12(13)8-11/h6-9,13H,4-5H2,1-3H3
InChIKeyUCBAFLGDXYNYIP-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.60
Rot. Bonds3

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

2-methyl-5-pentan-2-ylphenol (PubChem CID 130033342) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-methyl-5-pentan-2-ylphenol.

Molecular Properties

Compound Name2-methyl-5-pentan-2-ylphenol
PubChem CID130033342
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-methyl-5-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C12H18O/c1-4-5-9(2)11-7-6-10(3)12(13)8-11/h6-9,13H,4-5H2,1-3H3
InChIKeyUCBAFLGDXYNYIP-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

2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-bromo-5-pentan-2-ylphenol
CID 21321756
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
4-[2,5-di(pentan-2-yl)phenyl]phenol
CID 174791331
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
CID 15858385
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
4-(4-chlorobutan-2-yl)-2-methylphenol
CID 83922938
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentan-2-ylphenol?
The IUPAC name of 2-methyl-5-pentan-2-ylphenol (CID 130033342) is 2-methyl-5-pentan-2-ylphenol.
What is the SMILES notation for 2-methyl-5-pentan-2-ylphenol?
The canonical SMILES for 2-methyl-5-pentan-2-ylphenol is CCCC(C)c1ccc(C)c(O)c1.
What is the InChIKey of 2-methyl-5-pentan-2-ylphenol?
The InChIKey is UCBAFLGDXYNYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-5-9(2)11-7-6-10(3)12(13)8-11/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-pentan-2-ylphenol?
2-methyl-5-pentan-2-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 2-methyl-5-pentan-2-ylphenol is sourced from PubChem (CID 130033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).