1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one

C18H19NO — CID 20840213

IUPAC1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC2)c1-c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-17(20)15-10-6-11-16(19-12-7-13-19)18(15)14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyQSNPVSDWHJYCNK-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds4

About 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one

1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one (PubChem CID 20840213) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one
PubChem CID20840213
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC2)c1-c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-17(20)15-10-6-11-16(19-12-7-13-19)18(15)14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyQSNPVSDWHJYCNK-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one?
The IUPAC name of 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one (CID 20840213) is 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one?
The canonical SMILES for 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one is CCC(=O)c1cccc(N2CCC2)c1-c1ccccc1.
What is the InChIKey of 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one?
The InChIKey is QSNPVSDWHJYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-17(20)15-10-6-11-16(19-12-7-13-19)18(15)14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3.
What are the key properties of 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one?
1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)-2-phenylphenyl]propan-1-one is sourced from PubChem (CID 20840213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).