(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one

C14H19NO2 — CID 146884141

IUPAC(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CNC2)cc1
InChIInChI=1S/C14H19NO2/c1-10(7-11(2)16)12-3-5-13(6-4-12)17-14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeySUVCZAHZOJGCCL-SNVBAGLBSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds5

About (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one

(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one (PubChem CID 146884141) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
PubChem CID146884141
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(OC2CNC2)cc1
InChIInChI=1S/C14H19NO2/c1-10(7-11(2)16)12-3-5-13(6-4-12)17-14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeySUVCZAHZOJGCCL-SNVBAGLBSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one;(4R)-4-[4-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 160796338
(4R)-4-[4-[(4S)-4-(2-methoxyethoxy)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 159130576
(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
CID 158144410
4-[4-[1-(4-cyclopentyloxyphenyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158241695
(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158443898
4-[4-[1-[2-(ethylamino)pyrimidin-5-yl]azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158419008
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
tert-butyl (3S)-3-hydroxy-4-[4-[(2R)-4-oxopentan-2-yl]phenoxy]pyrrolidine-1-carboxylate;(4R)-4-[4-[(4R)-4-methoxypyrrolidin-3-yl]oxyphenyl]pentan-2-one;hydrochloride
CID 157050650
(4R)-4-[4-(1-isoquinolin-1-ylazetidin-3-yl)oxyphenyl]pentan-2-one
CID 159004367
(4R)-4-(4-hydroxyphenyl)pentan-2-one
CID 157310522
(4R)-4-[4-[1-[3-(difluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158548981
(4R)-4-[4-[1-(6-methylsulfanyl-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 161006415

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one (CID 146884141) is (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one is CC(=O)C[C@@H](C)c1ccc(OC2CNC2)cc1.
What is the InChIKey of (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one?
The InChIKey is SUVCZAHZOJGCCL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(7-11(2)16)12-3-5-13(6-4-12)17-14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one?
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one is sourced from PubChem (CID 146884141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).