2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol

C12H18O2 — CID 117284763

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(C(C)(C)CO)c1O
InChIInChI=1S/C12H18O2/c1-8-5-6-9(2)11(14)10(8)12(3,4)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyNLSPUFLEPNISHV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.28
Rot. Bonds2

About 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol

2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol (PubChem CID 117284763) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
PubChem CID117284763
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
SMILESCc1ccc(C)c(C(C)(C)CO)c1O
InChIInChI=1S/C12H18O2/c1-8-5-6-9(2)11(14)10(8)12(3,4)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyNLSPUFLEPNISHV-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol (CID 117284763) is 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol is Cc1ccc(C)c(C(C)(C)CO)c1O.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol?
The InChIKey is NLSPUFLEPNISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-5-6-9(2)11(14)10(8)12(3,4)7-13/h5-6,13-14H,7H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol?
2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol is sourced from PubChem (CID 117284763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).