2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile

C12H14N2O3 — CID 117340234

IUPAC2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
SMILESCOc1cc(C2CNCCO2)cc(C#N)c1O
InChIInChI=1S/C12H14N2O3/c1-16-10-5-8(4-9(6-13)12(10)15)11-7-14-2-3-17-11/h4-5,11,14-15H,2-3,7H2,1H3
InChIKeyBPQJCPULXYUJDI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.93
Rot. Bonds2

About 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile

2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile (PubChem CID 117340234) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
PubChem CID117340234
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
SMILESCOc1cc(C2CNCCO2)cc(C#N)c1O
InChIInChI=1S/C12H14N2O3/c1-16-10-5-8(4-9(6-13)12(10)15)11-7-14-2-3-17-11/h4-5,11,14-15H,2-3,7H2,1H3
InChIKeyBPQJCPULXYUJDI-UHFFFAOYSA-N
XLogP0.93
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107470107
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile?
The IUPAC name of 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile (CID 117340234) is 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile?
The canonical SMILES for 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile is COc1cc(C2CNCCO2)cc(C#N)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile?
The InChIKey is BPQJCPULXYUJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-10-5-8(4-9(6-13)12(10)15)11-7-14-2-3-17-11/h4-5,11,14-15H,2-3,7H2,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile?
2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile has a molecular weight of 234.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile is sourced from PubChem (CID 117340234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).