4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile

C18H17NO — CID 61398915

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H17NO/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-11H,1-4,13H2
InChIKeyVMZGCYXIEUQDMU-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.02
Rot. Bonds3

About 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile

4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile (PubChem CID 61398915) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
PubChem CID61398915
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H17NO/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-11H,1-4,13H2
InChIKeyVMZGCYXIEUQDMU-UHFFFAOYSA-N
XLogP4.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzonitrile
CID 2349528
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
CID 43326483
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
CID 54965695
tert-butyl 2-[7-[(4-cyanophenyl)methoxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]acetate
CID 10811316

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile (CID 61398915) is 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile is N#Cc1ccc(COc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile?
The InChIKey is VMZGCYXIEUQDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-11H,1-4,13H2.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile?
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile is sourced from PubChem (CID 61398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).