2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile

C12H9NO2 — CID 43143618

IUPAC2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
SMILESN#CCOc1cc2ccccc2cc1O
InChIInChI=1S/C12H9NO2/c13-5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14/h1-4,7-8,14H,6H2
InChIKeyCWKLJZWPTYGPIN-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile

2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile (PubChem CID 43143618) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
PubChem CID43143618
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
SMILESN#CCOc1cc2ccccc2cc1O
InChIInChI=1S/C12H9NO2/c13-5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14/h1-4,7-8,14H,6H2
InChIKeyCWKLJZWPTYGPIN-UHFFFAOYSA-N
XLogP2.45
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
CID 130057675
2-naphthalen-1-yloxyacetonitrile
CID 4123375
6-(3-hydroxynaphthalen-2-yl)oxy-2,2-dimethylhexanenitrile
CID 106713098
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
2-(cyanomethoxy)benzonitrile
CID 4156437
bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
CID 174984804
3-methylperoxynaphthalen-2-ol
CID 88579478
(3-hydroxynaphthalen-2-yl)oxyboronic acid
CID 142698504

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile?
The IUPAC name of 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile (CID 43143618) is 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile.
What is the SMILES notation for 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile?
The canonical SMILES for 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile is N#CCOc1cc2ccccc2cc1O.
What is the InChIKey of 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile?
The InChIKey is CWKLJZWPTYGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c13-5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14/h1-4,7-8,14H,6H2.
What are the key properties of 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile?
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile is sourced from PubChem (CID 43143618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).