1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol

C13H20O2 — CID 13140414

IUPAC1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
SMILESCC(C)(C)OCC(C)(O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-12(2,3)15-10-13(4,14)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeyQOGOQCXCECLPKK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.71
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol

1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol (PubChem CID 13140414) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
PubChem CID13140414
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
SMILESCC(C)(C)OCC(C)(O)c1ccccc1
InChIInChI=1S/C13H20O2/c1-12(2,3)15-10-13(4,14)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeyQOGOQCXCECLPKK-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
1-(azetidin-3-yloxy)-2-phenylpropan-2-ol
CID 106939887
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-[4-(methylamino)phenoxy]-2-phenylpropan-2-ol
CID 62373858
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
benzyl (2-hydroxy-2-phenylpropyl) carbonate
CID 139815152
1-butylperoxysulfanyloxy-2-phenylpropan-2-ol
CID 59189157

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol (CID 13140414) is 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol is CC(C)(C)OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol?
The InChIKey is QOGOQCXCECLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2,3)15-10-13(4,14)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol is sourced from PubChem (CID 13140414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).