6-(2-methylpropoxy)naphthalene-2-carbonitrile

C15H15NO — CID 121256525

IUPAC6-(2-methylpropoxy)naphthalene-2-carbonitrile
SMILESCC(C)COc1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C15H15NO/c1-11(2)10-17-15-6-5-13-7-12(9-16)3-4-14(13)8-15/h3-8,11H,10H2,1-2H3
InChIKeyPSSNANDTQMBPRT-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.75
Rot. Bonds3

About 6-(2-methylpropoxy)naphthalene-2-carbonitrile

6-(2-methylpropoxy)naphthalene-2-carbonitrile (PubChem CID 121256525) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(2-methylpropoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methylpropoxy)naphthalene-2-carbonitrile
PubChem CID121256525
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(2-methylpropoxy)naphthalene-2-carbonitrile
SMILESCC(C)COc1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C15H15NO/c1-11(2)10-17-15-6-5-13-7-12(9-16)3-4-14(13)8-15/h3-8,11H,10H2,1-2H3
InChIKeyPSSNANDTQMBPRT-UHFFFAOYSA-N
XLogP3.75
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
6-(4-aminobutoxy)naphthalene-2-carbonitrile
CID 71373025
4-(2-methylpropoxy)-3-propan-2-ylbenzonitrile
CID 82263972
magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide
CID 91656581
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
3-bromo-5-(2-methylpropoxy)benzonitrile
CID 102817718
3-tert-butyl-4-(2-methylpropoxy)benzonitrile
CID 82263936
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
CID 23465055
3-formyl-4-(2-methylpropoxy)benzonitrile
CID 66553606
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
anthracene-2,6-dicarbonitrile
CID 89012264

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)naphthalene-2-carbonitrile?
The IUPAC name of 6-(2-methylpropoxy)naphthalene-2-carbonitrile (CID 121256525) is 6-(2-methylpropoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(2-methylpropoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(2-methylpropoxy)naphthalene-2-carbonitrile is CC(C)COc1ccc2cc(C#N)ccc2c1.
What is the InChIKey of 6-(2-methylpropoxy)naphthalene-2-carbonitrile?
The InChIKey is PSSNANDTQMBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(2)10-17-15-6-5-13-7-12(9-16)3-4-14(13)8-15/h3-8,11H,10H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)naphthalene-2-carbonitrile?
6-(2-methylpropoxy)naphthalene-2-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 121256525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).