2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol

C14H22O2 — CID 117318695

IUPAC2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1CC(C)O
InChIInChI=1S/C14H22O2/c1-9-6-13(16)12(14(3,4)5)8-11(9)7-10(2)15/h6,8,10,15-16H,7H2,1-5H3
InChIKeyBNRKJMCLTGLXAE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds2

About 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol

2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol (PubChem CID 117318695) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
PubChem CID117318695
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1CC(C)O
InChIInChI=1S/C14H22O2/c1-9-6-13(16)12(14(3,4)5)8-11(9)7-10(2)15/h6,8,10,15-16H,7H2,1-5H3
InChIKeyBNRKJMCLTGLXAE-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol
CID 58352240
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-tert-butyl-4-[2-hydroxy-5-(4-hydroxybutylamino)pentyl]-5-methylphenol
CID 139768826
2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol?
The IUPAC name of 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol (CID 117318695) is 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol?
The canonical SMILES for 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1CC(C)O.
What is the InChIKey of 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol?
The InChIKey is BNRKJMCLTGLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-6-13(16)12(14(3,4)5)8-11(9)7-10(2)15/h6,8,10,15-16H,7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol?
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol has a molecular weight of 222.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol is sourced from PubChem (CID 117318695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).