2-(3-chlorophenyl)-5-phenylmorpholine

C16H16ClNO — CID 63183821

IUPAC2-(3-chlorophenyl)-5-phenylmorpholine
SMILESClc1cccc(C2CNC(c3ccccc3)CO2)c1
InChIInChI=1S/C16H16ClNO/c17-14-8-4-7-13(9-14)16-10-18-15(11-19-16)12-5-2-1-3-6-12/h1-9,15-16,18H,10-11H2
InChIKeyIBTWNVREXHJILC-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.74
Rot. Bonds2

About 2-(3-chlorophenyl)-5-phenylmorpholine

2-(3-chlorophenyl)-5-phenylmorpholine (PubChem CID 63183821) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-phenylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-phenylmorpholine
PubChem CID63183821
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(3-chlorophenyl)-5-phenylmorpholine
SMILESClc1cccc(C2CNC(c3ccccc3)CO2)c1
InChIInChI=1S/C16H16ClNO/c17-14-8-4-7-13(9-14)16-10-18-15(11-19-16)12-5-2-1-3-6-12/h1-9,15-16,18H,10-11H2
InChIKeyIBTWNVREXHJILC-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-phenylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-5-phenylmorpholine (CID 63183821) is 2-(3-chlorophenyl)-5-phenylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-phenylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-5-phenylmorpholine is Clc1cccc(C2CNC(c3ccccc3)CO2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-phenylmorpholine?
The InChIKey is IBTWNVREXHJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-8-4-7-13(9-14)16-10-18-15(11-19-16)12-5-2-1-3-6-12/h1-9,15-16,18H,10-11H2.
What are the key properties of 2-(3-chlorophenyl)-5-phenylmorpholine?
2-(3-chlorophenyl)-5-phenylmorpholine has a molecular weight of 273.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-phenylmorpholine is sourced from PubChem (CID 63183821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).