4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile

C15H20N2O3 — CID 111105465

IUPAC4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
SMILESCc1ccc(OCC(O)CN2CCOC(C#N)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-12-2-4-14(5-3-12)20-11-13(18)9-17-6-7-19-15(8-16)10-17/h2-5,13,15,18H,6-7,9-11H2,1H3
InChIKeyCOBJGHRGWHCCSS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.96
Rot. Bonds5

About 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile

4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile (PubChem CID 111105465) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
PubChem CID111105465
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
SMILESCc1ccc(OCC(O)CN2CCOC(C#N)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-12-2-4-14(5-3-12)20-11-13(18)9-17-6-7-19-15(8-16)10-17/h2-5,13,15,18H,6-7,9-11H2,1H3
InChIKeyCOBJGHRGWHCCSS-UHFFFAOYSA-N
XLogP0.96
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]morpholine-2-carbonitrile
CID 111105473
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79674172
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile (CID 111105465) is 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile is Cc1ccc(OCC(O)CN2CCOC(C#N)C2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile?
The InChIKey is COBJGHRGWHCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12-2-4-14(5-3-12)20-11-13(18)9-17-6-7-19-15(8-16)10-17/h2-5,13,15,18H,6-7,9-11H2,1H3.
What are the key properties of 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile?
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile is sourced from PubChem (CID 111105465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).