(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine

C19H19NO2 — CID 143625559

IUPAC(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine
SMILESC(#Cc1ccccc1)COc1ccc(OC[C@H]2CCN2)cc1
InChIInChI=1S/C19H19NO2/c1-2-5-16(6-3-1)7-4-14-21-18-8-10-19(11-9-18)22-15-17-12-13-20-17/h1-3,5-6,8-11,17,20H,12-15H2/t17-/m1/s1
InChIKeyZJMCEPWBQNYSBI-QGZVFWFLSA-N
MW293.37 g/mol
LogP2.86
Rot. Bonds5

About (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine

(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine (PubChem CID 143625559) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine.

Molecular Properties

Compound Name(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine
PubChem CID143625559
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine
SMILESC(#Cc1ccccc1)COc1ccc(OC[C@H]2CCN2)cc1
InChIInChI=1S/C19H19NO2/c1-2-5-16(6-3-1)7-4-14-21-18-8-10-19(11-9-18)22-15-17-12-13-20-17/h1-3,5-6,8-11,17,20H,12-15H2/t17-/m1/s1
InChIKeyZJMCEPWBQNYSBI-QGZVFWFLSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine?
The IUPAC name of (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine (CID 143625559) is (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine.
What is the SMILES notation for (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine?
The canonical SMILES for (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine is C(#Cc1ccccc1)COc1ccc(OC[C@H]2CCN2)cc1.
What is the InChIKey of (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine?
The InChIKey is ZJMCEPWBQNYSBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-5-16(6-3-1)7-4-14-21-18-8-10-19(11-9-18)22-15-17-12-13-20-17/h1-3,5-6,8-11,17,20H,12-15H2/t17-/m1/s1.
What are the key properties of (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine?
(2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine has a molecular weight of 293.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3-phenylprop-2-ynoxy)phenoxy]methyl]azetidine is sourced from PubChem (CID 143625559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).