2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol

C14H22O2 — CID 117318683

IUPAC2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)CO)c1
InChIInChI=1S/C14H22O2/c1-5-14(3,4)11-6-7-13(16)12(8-11)10(2)9-15/h6-8,10,15-16H,5,9H2,1-4H3
InChIKeyWVGOPFRXCGFMDP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds4

About 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol

2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol (PubChem CID 117318683) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
PubChem CID117318683
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)CO)c1
InChIInChI=1S/C14H22O2/c1-5-14(3,4)11-6-7-13(16)12(8-11)10(2)9-15/h6-8,10,15-16H,5,9H2,1-4H3
InChIKeyWVGOPFRXCGFMDP-UHFFFAOYSA-N
XLogP3.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
CID 117320534

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol (CID 117318683) is 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(C(C)CO)c1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol?
The InChIKey is WVGOPFRXCGFMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-14(3,4)11-6-7-13(16)12(8-11)10(2)9-15/h6-8,10,15-16H,5,9H2,1-4H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol?
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 117318683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).