4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile

C20H22N2O3 — CID 3133121

IUPAC4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC(O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c21-13-16-1-3-17(4-2-16)18-5-7-20(8-6-18)25-15-19(23)14-22-9-11-24-12-10-22/h1-8,19,23H,9-12,14-15H2
InChIKeyWQKZIQOVSHBBLN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.30
Rot. Bonds6

About 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile

4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile (PubChem CID 3133121) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
PubChem CID3133121
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCC(O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c21-13-16-1-3-17(4-2-16)18-5-7-20(8-6-18)25-15-19(23)14-22-9-11-24-12-10-22/h1-8,19,23H,9-12,14-15H2
InChIKeyWQKZIQOVSHBBLN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
4-[(2R)-2-hydroxy-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propoxy]benzonitrile
CID 31034383
4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 7874330
1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 2740135
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
4-[3-(4-ethoxypiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 110901888

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile?
The IUPAC name of 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile (CID 3133121) is 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCC(O)CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile?
The InChIKey is WQKZIQOVSHBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-13-16-1-3-17(4-2-16)18-5-7-20(8-6-18)25-15-19(23)14-22-9-11-24-12-10-22/h1-8,19,23H,9-12,14-15H2.
What are the key properties of 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile?
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile is sourced from PubChem (CID 3133121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).