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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Related Compounds

1-[(1S)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338346
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-chlorophenyl)ethyl]piperazine
CID 44338359
1-[2-[(3-Chlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338557
1-[(1R)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338639
1-[2-[(3,5-Dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44358334
[(1S,3S)-7-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168278103
[(1S,3S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168296879
3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperidine
CID 10089212
[(1S,3S)-5-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168272090
(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)ethoxy]-2-phenylpiperidine
CID 44331786
Morpholine, 4-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-
CID 90292
3-(4-Chlorophenyl)morpholine hydrochloride
CID 17749821

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).