3-(2-phenylethyl)oxetan-3-ol

C11H14O2 — CID 83683318

IUPAC3-(2-phenylethyl)oxetan-3-ol
SMILESOC1(CCc2ccccc2)COC1
InChIInChI=1S/C11H14O2/c12-11(8-13-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyWNNOBXMUBKGXRZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds3

About 3-(2-phenylethyl)oxetan-3-ol

3-(2-phenylethyl)oxetan-3-ol (PubChem CID 83683318) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(2-phenylethyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-phenylethyl)oxetan-3-ol
PubChem CID83683318
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-(2-phenylethyl)oxetan-3-ol
SMILESOC1(CCc2ccccc2)COC1
InChIInChI=1S/C11H14O2/c12-11(8-13-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyWNNOBXMUBKGXRZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenylbutyl)oxetan-3-ol
CID 86699932
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 118297767
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
3-benzyloxolan-3-ol
CID 63332039
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
1-cyclopropyl-3-(2-phenylethyl)pyrrolidin-3-ol
CID 55142174
3-phenyl-5-(2-phenylethyl)-4H-1,2-oxazol-5-ol
CID 12028159
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)oxetan-3-ol?
The IUPAC name of 3-(2-phenylethyl)oxetan-3-ol (CID 83683318) is 3-(2-phenylethyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-phenylethyl)oxetan-3-ol?
The canonical SMILES for 3-(2-phenylethyl)oxetan-3-ol is OC1(CCc2ccccc2)COC1.
What is the InChIKey of 3-(2-phenylethyl)oxetan-3-ol?
The InChIKey is WNNOBXMUBKGXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(8-13-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 3-(2-phenylethyl)oxetan-3-ol?
3-(2-phenylethyl)oxetan-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)oxetan-3-ol is sourced from PubChem (CID 83683318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).