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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Related Compounds

6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
3-(2-hydroxy-3,6-dimethylphenyl)-3-methylbutanoic acid
CID 59163131
2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
CID 130700380
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443
3,6-dimethylbenzene-1,2-diol;(3-hydroxy-2,2-dimethylpropanoyl) 3-hydroxy-2,2-dimethylpropanoate
CID 22400641
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
CID 91504124
CID 91504124
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
3-[1,1-bis(2-tert-butyl-3-hydroxy-4-methylphenyl)butyl]-2-tert-butyl-6-methylphenol
CID 18406278

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).