2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile

C12H14N2O2 — CID 87721500

IUPAC2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOC(c2ccc(O)cc2)C1
InChIInChI=1S/C12H14N2O2/c13-5-6-14-7-8-16-12(9-14)10-1-3-11(15)4-2-10/h1-4,12,15H,6-9H2
InChIKeyZBHRWLPGWRUZIM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds2

About 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile

2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile (PubChem CID 87721500) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile
PubChem CID87721500
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOC(c2ccc(O)cc2)C1
InChIInChI=1S/C12H14N2O2/c13-5-6-14-7-8-16-12(9-14)10-1-3-11(15)4-2-10/h1-4,12,15H,6-9H2
InChIKeyZBHRWLPGWRUZIM-UHFFFAOYSA-N
XLogP1.29
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
2-(2-cyclopropylmorpholin-4-yl)acetonitrile
CID 126990253
1-[4-[4-(2-bromoethyl)morpholin-2-yl]phenyl]ethanone
CID 57221031
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 119041162
1-(azetidin-1-yl)-2-[2-(4-bromophenyl)morpholin-4-yl]ethanone
CID 71937098
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124573621
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile?
The IUPAC name of 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile (CID 87721500) is 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile is N#CCN1CCOC(c2ccc(O)cc2)C1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile?
The InChIKey is ZBHRWLPGWRUZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-5-6-14-7-8-16-12(9-14)10-1-3-11(15)4-2-10/h1-4,12,15H,6-9H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile?
2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile is sourced from PubChem (CID 87721500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).