4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile

C20H22N2O3 — CID 110885577

IUPAC4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)CN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c21-12-16-6-8-19(9-7-16)25-15-18(23)13-22-10-11-24-20(14-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-11,13-15H2
InChIKeyQQDOWAWIODQFJM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile

4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile (PubChem CID 110885577) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
PubChem CID110885577
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)CN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c21-12-16-6-8-19(9-7-16)25-15-18(23)13-22-10-11-24-20(14-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-11,13-15H2
InChIKeyQQDOWAWIODQFJM-UHFFFAOYSA-N
XLogP2.37
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 7874330
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
CID 111105465
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile?
The IUPAC name of 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile (CID 110885577) is 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile is N#Cc1ccc(OCC(O)CN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile?
The InChIKey is QQDOWAWIODQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-12-16-6-8-19(9-7-16)25-15-18(23)13-22-10-11-24-20(14-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-11,13-15H2.
What are the key properties of 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile?
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile is sourced from PubChem (CID 110885577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).