1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

C12H18O3 — CID 114494372

IUPAC1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccccc1CO
InChIInChI=1S/C12H18O3/c1-3-12(2,14)9-15-11-7-5-4-6-10(11)8-13/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyUUIIQWICKSPUON-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 114494372) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID114494372
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccccc1CO
InChIInChI=1S/C12H18O3/c1-3-12(2,14)9-15-11-7-5-4-6-10(11)8-13/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyUUIIQWICKSPUON-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494492
1-[2-(2-hydroxy-2-methylbutoxy)phenyl]ethanone
CID 114493911
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
CID 114495975
2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930417
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
(2-octoxyphenyl)methanol
CID 43128604
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (CID 114494372) is 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1ccccc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is UUIIQWICKSPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-12(2,14)9-15-11-7-5-4-6-10(11)8-13/h4-7,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114494372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).