5-(oxan-2-yloxy)naphthalene-2-carbonitrile

C16H15NO2 — CID 67656854

IUPAC5-(oxan-2-yloxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(OC3CCCCO3)cccc2c1
InChIInChI=1S/C16H15NO2/c17-11-12-7-8-14-13(10-12)4-3-5-15(14)19-16-6-1-2-9-18-16/h3-5,7-8,10,16H,1-2,6,9H2
InChIKeyQQNIINBFJFYJSE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.62
Rot. Bonds2

About 5-(oxan-2-yloxy)naphthalene-2-carbonitrile

5-(oxan-2-yloxy)naphthalene-2-carbonitrile (PubChem CID 67656854) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(oxan-2-yloxy)naphthalene-2-carbonitrile
PubChem CID67656854
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-(oxan-2-yloxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(OC3CCCCO3)cccc2c1
InChIInChI=1S/C16H15NO2/c17-11-12-7-8-14-13(10-12)4-3-5-15(14)19-16-6-1-2-9-18-16/h3-5,7-8,10,16H,1-2,6,9H2
InChIKeyQQNIINBFJFYJSE-UHFFFAOYSA-N
XLogP3.62
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
5-methoxynaphthalene-2-carbonitrile
CID 22243517
CID 57464318
CID 57464318
4-(oxan-2-yloxy)-3-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 67026365
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
(2S)-2-(2,3-diethynylphenoxy)oxane
CID 102172990
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499
4-[hydroxy-[6-(oxan-2-yloxy)-1-benzofuran-2-yl]methyl]benzonitrile
CID 11566460
2-[2-(2-fluoroethynyl)phenoxy]oxane
CID 139891830

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxy)naphthalene-2-carbonitrile?
The IUPAC name of 5-(oxan-2-yloxy)naphthalene-2-carbonitrile (CID 67656854) is 5-(oxan-2-yloxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 5-(oxan-2-yloxy)naphthalene-2-carbonitrile?
The canonical SMILES for 5-(oxan-2-yloxy)naphthalene-2-carbonitrile is N#Cc1ccc2c(OC3CCCCO3)cccc2c1.
What is the InChIKey of 5-(oxan-2-yloxy)naphthalene-2-carbonitrile?
The InChIKey is QQNIINBFJFYJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-11-12-7-8-14-13(10-12)4-3-5-15(14)19-16-6-1-2-9-18-16/h3-5,7-8,10,16H,1-2,6,9H2.
What are the key properties of 5-(oxan-2-yloxy)naphthalene-2-carbonitrile?
5-(oxan-2-yloxy)naphthalene-2-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 67656854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).