3-phenyl-1-propan-2-ylazetidin-3-ol

C12H17NO — CID 58547253

IUPAC3-phenyl-1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-10(2)13-8-12(14,9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyLUXMZNIVIMNPST-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.60
Rot. Bonds2

About 3-phenyl-1-propan-2-ylazetidin-3-ol

3-phenyl-1-propan-2-ylazetidin-3-ol (PubChem CID 58547253) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylazetidin-3-ol
PubChem CID58547253
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-phenyl-1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-10(2)13-8-12(14,9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyLUXMZNIVIMNPST-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-1-propan-2-ylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylazetidin-3-ol?
The IUPAC name of 3-phenyl-1-propan-2-ylazetidin-3-ol (CID 58547253) is 3-phenyl-1-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 3-phenyl-1-propan-2-ylazetidin-3-ol?
The canonical SMILES for 3-phenyl-1-propan-2-ylazetidin-3-ol is CC(C)N1CC(O)(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-propan-2-ylazetidin-3-ol?
The InChIKey is LUXMZNIVIMNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)13-8-12(14,9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylazetidin-3-ol?
3-phenyl-1-propan-2-ylazetidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 58547253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).