4-(8-methylnaphthalen-2-yl)oxybenzonitrile

C18H13NO — CID 126674699

IUPAC4-(8-methylnaphthalen-2-yl)oxybenzonitrile
SMILESCc1cccc2ccc(Oc3ccc(C#N)cc3)cc12
InChIInChI=1S/C18H13NO/c1-13-3-2-4-15-7-10-17(11-18(13)15)20-16-8-5-14(12-19)6-9-16/h2-11H,1H3
InChIKeyQTMCESNRYASYGH-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.81
Rot. Bonds2

About 4-(8-methylnaphthalen-2-yl)oxybenzonitrile

4-(8-methylnaphthalen-2-yl)oxybenzonitrile (PubChem CID 126674699) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(8-methylnaphthalen-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(8-methylnaphthalen-2-yl)oxybenzonitrile
PubChem CID126674699
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name4-(8-methylnaphthalen-2-yl)oxybenzonitrile
SMILESCc1cccc2ccc(Oc3ccc(C#N)cc3)cc12
InChIInChI=1S/C18H13NO/c1-13-3-2-4-15-7-10-17(11-18(13)15)20-16-8-5-14(12-19)6-9-16/h2-11H,1H3
InChIKeyQTMCESNRYASYGH-UHFFFAOYSA-N
XLogP4.81
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenoxy)benzonitrile
CID 15643687
(8-methylnaphthalen-2-yl)oxyphosphane
CID 54177980
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-(3-iodophenoxy)benzonitrile
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1-methyl-7-(trifluoromethoxy)naphthalene
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4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
4-[3-[[3-(4-cyanophenoxy)anilino]sulfanylamino]phenoxy]benzonitrile
CID 126674701
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
4-(3-formylphenoxy)benzonitrile
CID 13238540
4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454
[2-(chloromethyl)-4-(4-cyanophenoxy)phenyl]boronic acid
CID 155775187
4-methoxy(13C)benzonitrile
CID 175991125

Frequently Asked Questions

What is the IUPAC name of 4-(8-methylnaphthalen-2-yl)oxybenzonitrile?
The IUPAC name of 4-(8-methylnaphthalen-2-yl)oxybenzonitrile (CID 126674699) is 4-(8-methylnaphthalen-2-yl)oxybenzonitrile.
What is the SMILES notation for 4-(8-methylnaphthalen-2-yl)oxybenzonitrile?
The canonical SMILES for 4-(8-methylnaphthalen-2-yl)oxybenzonitrile is Cc1cccc2ccc(Oc3ccc(C#N)cc3)cc12.
What is the InChIKey of 4-(8-methylnaphthalen-2-yl)oxybenzonitrile?
The InChIKey is QTMCESNRYASYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-13-3-2-4-15-7-10-17(11-18(13)15)20-16-8-5-14(12-19)6-9-16/h2-11H,1H3.
What are the key properties of 4-(8-methylnaphthalen-2-yl)oxybenzonitrile?
4-(8-methylnaphthalen-2-yl)oxybenzonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylnaphthalen-2-yl)oxybenzonitrile is sourced from PubChem (CID 126674699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).