3-(3-chloro-5-phenylphenyl)morpholine

C16H16ClNO — CID 171499523

IUPAC3-(3-chloro-5-phenylphenyl)morpholine
SMILESClc1cc(-c2ccccc2)cc(C2COCCN2)c1
InChIInChI=1S/C16H16ClNO/c17-15-9-13(12-4-2-1-3-5-12)8-14(10-15)16-11-19-7-6-18-16/h1-5,8-10,16,18H,6-7,11H2
InChIKeyYPXNAWSIPSFADP-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.67
Rot. Bonds2

About 3-(3-chloro-5-phenylphenyl)morpholine

3-(3-chloro-5-phenylphenyl)morpholine (PubChem CID 171499523) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-(3-chloro-5-phenylphenyl)morpholine.

Molecular Properties

Compound Name3-(3-chloro-5-phenylphenyl)morpholine
PubChem CID171499523
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-(3-chloro-5-phenylphenyl)morpholine
SMILESClc1cc(-c2ccccc2)cc(C2COCCN2)c1
InChIInChI=1S/C16H16ClNO/c17-15-9-13(12-4-2-1-3-5-12)8-14(10-15)16-11-19-7-6-18-16/h1-5,8-10,16,18H,6-7,11H2
InChIKeyYPXNAWSIPSFADP-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-phenylphenyl)morpholine?
The IUPAC name of 3-(3-chloro-5-phenylphenyl)morpholine (CID 171499523) is 3-(3-chloro-5-phenylphenyl)morpholine.
What is the SMILES notation for 3-(3-chloro-5-phenylphenyl)morpholine?
The canonical SMILES for 3-(3-chloro-5-phenylphenyl)morpholine is Clc1cc(-c2ccccc2)cc(C2COCCN2)c1.
What is the InChIKey of 3-(3-chloro-5-phenylphenyl)morpholine?
The InChIKey is YPXNAWSIPSFADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-9-13(12-4-2-1-3-5-12)8-14(10-15)16-11-19-7-6-18-16/h1-5,8-10,16,18H,6-7,11H2.
What are the key properties of 3-(3-chloro-5-phenylphenyl)morpholine?
3-(3-chloro-5-phenylphenyl)morpholine has a molecular weight of 273.76 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-phenylphenyl)morpholine is sourced from PubChem (CID 171499523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).