2-hexoxynaphthalene-1-carbonitrile

C17H19NO — CID 22685453

IUPAC2-hexoxynaphthalene-1-carbonitrile
SMILESCCCCCCOc1ccc2ccccc2c1C#N
InChIInChI=1S/C17H19NO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12H2,1H3
InChIKeyZAUBCLPREWJQJS-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.67
Rot. Bonds6

About 2-hexoxynaphthalene-1-carbonitrile

2-hexoxynaphthalene-1-carbonitrile (PubChem CID 22685453) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-hexoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-hexoxynaphthalene-1-carbonitrile
PubChem CID22685453
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-hexoxynaphthalene-1-carbonitrile
SMILESCCCCCCOc1ccc2ccccc2c1C#N
InChIInChI=1S/C17H19NO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12H2,1H3
InChIKeyZAUBCLPREWJQJS-UHFFFAOYSA-N
XLogP4.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
1,4-didodecoxynaphthalene
CID 21304164
1-bromo-2-nonoxynaphthalene
CID 63529773
3-hydroxy-6-octoxybenzene-1,2-dicarbonitrile
CID 18995394
2-chloro-6-hexoxybenzonitrile
CID 63513082
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
2-decoxy-6-phenylbenzonitrile
CID 70475656
2-[2-(3,4-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22685831
2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22681976

Frequently Asked Questions

What is the IUPAC name of 2-hexoxynaphthalene-1-carbonitrile?
The IUPAC name of 2-hexoxynaphthalene-1-carbonitrile (CID 22685453) is 2-hexoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 2-hexoxynaphthalene-1-carbonitrile?
The canonical SMILES for 2-hexoxynaphthalene-1-carbonitrile is CCCCCCOc1ccc2ccccc2c1C#N.
What is the InChIKey of 2-hexoxynaphthalene-1-carbonitrile?
The InChIKey is ZAUBCLPREWJQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-4-7-12-19-17-11-10-14-8-5-6-9-15(14)16(17)13-18/h5-6,8-11H,2-4,7,12H2,1H3.
What are the key properties of 2-hexoxynaphthalene-1-carbonitrile?
2-hexoxynaphthalene-1-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 22685453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).