2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol

C11H16O3 — CID 134583534

IUPAC2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol
SMILESCC(C)(C)OC(O)c1ccccc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,10,12-13H,1-3H3
InChIKeyXWJUMHQNTWFYFD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.20
Rot. Bonds2

About 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol

2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol (PubChem CID 134583534) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol.

Molecular Properties

Compound Name2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol
PubChem CID134583534
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol
SMILESCC(C)(C)OC(O)c1ccccc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,10,12-13H,1-3H3
InChIKeyXWJUMHQNTWFYFD-UHFFFAOYSA-N
XLogP2.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenoxy]acetic acid
CID 134353568
2-[4-[4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]hexan-2-yl]phenol
CID 20725425
2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
CID 83820422
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 12508747
benzene-1,2-diol;propan-2-ol
CID 144664669
tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate
CID 118334826
tert-butyl N-[1-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 84729025
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol?
The IUPAC name of 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol (CID 134583534) is 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol.
What is the SMILES notation for 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol?
The canonical SMILES for 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol is CC(C)(C)OC(O)c1ccccc1O.
What is the InChIKey of 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol?
The InChIKey is XWJUMHQNTWFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,10,12-13H,1-3H3.
What are the key properties of 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol?
2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol has a molecular weight of 196.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]phenol is sourced from PubChem (CID 134583534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).