2,2-dimethyl-3-phenyloxetan-3-ol

C11H14O2 — CID 121217401

IUPAC2,2-dimethyl-3-phenyloxetan-3-ol
SMILESCC1(C)OCC1(O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyAUXFSPNRFOJJMC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds1

About 2,2-dimethyl-3-phenyloxetan-3-ol

2,2-dimethyl-3-phenyloxetan-3-ol (PubChem CID 121217401) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyloxetan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyloxetan-3-ol
PubChem CID121217401
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,2-dimethyl-3-phenyloxetan-3-ol
SMILESCC1(C)OCC1(O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyAUXFSPNRFOJJMC-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
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(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol
CID 719238
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
CID 10773606
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
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2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyloxetan-3-ol?
The IUPAC name of 2,2-dimethyl-3-phenyloxetan-3-ol (CID 121217401) is 2,2-dimethyl-3-phenyloxetan-3-ol.
What is the SMILES notation for 2,2-dimethyl-3-phenyloxetan-3-ol?
The canonical SMILES for 2,2-dimethyl-3-phenyloxetan-3-ol is CC1(C)OCC1(O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-phenyloxetan-3-ol?
The InChIKey is AUXFSPNRFOJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-phenyloxetan-3-ol?
2,2-dimethyl-3-phenyloxetan-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyloxetan-3-ol is sourced from PubChem (CID 121217401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).