2-(3-ethylazetidin-1-yl)-2-phenylethanol

C13H19NO — CID 104549564

IUPAC2-(3-ethylazetidin-1-yl)-2-phenylethanol
SMILESCCC1CN(C(CO)c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-2-11-8-14(9-11)13(10-15)12-6-4-3-5-7-12/h3-7,11,13,15H,2,8-10H2,1H3
InChIKeyCMUIUVJQGQBTKS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-ethylazetidin-1-yl)-2-phenylethanol

2-(3-ethylazetidin-1-yl)-2-phenylethanol (PubChem CID 104549564) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-ethylazetidin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(3-ethylazetidin-1-yl)-2-phenylethanol
PubChem CID104549564
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-ethylazetidin-1-yl)-2-phenylethanol
SMILESCCC1CN(C(CO)c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-2-11-8-14(9-11)13(10-15)12-6-4-3-5-7-12/h3-7,11,13,15H,2,8-10H2,1H3
InChIKeyCMUIUVJQGQBTKS-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylazetidin-1-yl)-2-phenylethanol?
The IUPAC name of 2-(3-ethylazetidin-1-yl)-2-phenylethanol (CID 104549564) is 2-(3-ethylazetidin-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(3-ethylazetidin-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(3-ethylazetidin-1-yl)-2-phenylethanol is CCC1CN(C(CO)c2ccccc2)C1.
What is the InChIKey of 2-(3-ethylazetidin-1-yl)-2-phenylethanol?
The InChIKey is CMUIUVJQGQBTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-8-14(9-11)13(10-15)12-6-4-3-5-7-12/h3-7,11,13,15H,2,8-10H2,1H3.
What are the key properties of 2-(3-ethylazetidin-1-yl)-2-phenylethanol?
2-(3-ethylazetidin-1-yl)-2-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylazetidin-1-yl)-2-phenylethanol is sourced from PubChem (CID 104549564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).