3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one

C18H19NO — CID 47034527

IUPAC3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC1c1ccccc1
InChIInChI=1S/C18H19NO/c20-18(12-11-15-7-3-1-4-8-15)19-14-13-17(19)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyFXRDYZLBJDRIIZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.59
Rot. Bonds4

About 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one

3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one (PubChem CID 47034527) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
PubChem CID47034527
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC1c1ccccc1
InChIInChI=1S/C18H19NO/c20-18(12-11-15-7-3-1-4-8-15)19-14-13-17(19)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyFXRDYZLBJDRIIZ-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one (CID 47034527) is 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CCC1c1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one?
The InChIKey is FXRDYZLBJDRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(12-11-15-7-3-1-4-8-15)19-14-13-17(19)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one?
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 47034527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).