2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile

C13H16N2O2 — CID 84757665

IUPAC2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(O)c(C(C#N)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2/c1-10-2-3-13(16)11(8-10)12(9-14)15-4-6-17-7-5-15/h2-3,8,12,16H,4-7H2,1H3
InChIKeyRLIADSMUHKJVDV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds2

About 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile

2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 84757665) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID84757665
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(O)c(C(C#N)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O2/c1-10-2-3-13(16)11(8-10)12(9-14)15-4-6-17-7-5-15/h2-3,8,12,16H,4-7H2,1H3
InChIKeyRLIADSMUHKJVDV-UHFFFAOYSA-N
XLogP1.60
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-5-methylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 84757120
2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
CID 43803033
2-(4-acetylpiperazin-1-yl)-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84757655
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420308
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 79583834
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
CID 131172092
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile (CID 84757665) is 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile is Cc1ccc(O)c(C(C#N)N2CCOCC2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is RLIADSMUHKJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-2-3-13(16)11(8-10)12(9-14)15-4-6-17-7-5-15/h2-3,8,12,16H,4-7H2,1H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile?
2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 232.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 84757665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).