2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile

C13H11NO2 — CID 53376360

IUPAC2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile
SMILESCc1cc(O)c2ccccc2c1OCC#N
InChIInChI=1S/C13H11NO2/c1-9-8-12(15)10-4-2-3-5-11(10)13(9)16-7-6-14/h2-5,8,15H,7H2,1H3
InChIKeySCLYOXDYRXRDDX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile

2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile (PubChem CID 53376360) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile
PubChem CID53376360
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile
SMILESCc1cc(O)c2ccccc2c1OCC#N
InChIInChI=1S/C13H11NO2/c1-9-8-12(15)10-4-2-3-5-11(10)13(9)16-7-6-14/h2-5,8,15H,7H2,1H3
InChIKeySCLYOXDYRXRDDX-UHFFFAOYSA-N
XLogP2.76
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
4-chloro-2,6-dimethylphenol;2-(4-chloro-2,6-dimethylphenoxy)acetonitrile
CID 157289458
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
3,4-dimethylnaphthalen-1-ol
CID 15915434
disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
CID 70120911
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
3-methyl-4-propan-2-ylnaphthalen-1-ol
CID 163727490
2-(5-iodo-2-methylphenoxy)acetonitrile
CID 130741781
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]acetonitrile
CID 112621327
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
2-naphthalen-1-yloxyacetonitrile
CID 4123375

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile?
The IUPAC name of 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile (CID 53376360) is 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile.
What is the SMILES notation for 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile?
The canonical SMILES for 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile is Cc1cc(O)c2ccccc2c1OCC#N.
What is the InChIKey of 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile?
The InChIKey is SCLYOXDYRXRDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-8-12(15)10-4-2-3-5-11(10)13(9)16-7-6-14/h2-5,8,15H,7H2,1H3.
What are the key properties of 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile?
2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methylnaphthalen-1-yl)oxyacetonitrile is sourced from PubChem (CID 53376360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).