1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol

C13H19NO — CID 117294180

IUPAC1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CN(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)7-11-3-5-12(6-4-11)13-8-14(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyDKMKXQUGSGPHLI-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.64
Rot. Bonds3

About 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol

1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol (PubChem CID 117294180) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol
PubChem CID117294180
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CN(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)7-11-3-5-12(6-4-11)13-8-14(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyDKMKXQUGSGPHLI-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol (CID 117294180) is 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol is CC(O)Cc1ccc(C2CN(C)C2)cc1.
What is the InChIKey of 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol?
The InChIKey is DKMKXQUGSGPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)7-11-3-5-12(6-4-11)13-8-14(2)9-13/h3-6,10,13,15H,7-9H2,1-2H3.
What are the key properties of 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol?
1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117294180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).