4-(1-formylnaphthalen-2-yl)oxybutanenitrile

C15H13NO2 — CID 43389591

IUPAC4-(1-formylnaphthalen-2-yl)oxybutanenitrile
SMILESN#CCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C15H13NO2/c16-9-3-4-10-18-15-8-7-12-5-1-2-6-13(12)14(15)11-17/h1-2,5-8,11H,3-4,10H2
InChIKeyVVNXKSHKRVEHTM-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.33
Rot. Bonds5

About 4-(1-formylnaphthalen-2-yl)oxybutanenitrile

4-(1-formylnaphthalen-2-yl)oxybutanenitrile (PubChem CID 43389591) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(1-formylnaphthalen-2-yl)oxybutanenitrile.

Molecular Properties

Compound Name4-(1-formylnaphthalen-2-yl)oxybutanenitrile
PubChem CID43389591
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(1-formylnaphthalen-2-yl)oxybutanenitrile
SMILESN#CCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C15H13NO2/c16-9-3-4-10-18-15-8-7-12-5-1-2-6-13(12)14(15)11-17/h1-2,5-8,11H,3-4,10H2
InChIKeyVVNXKSHKRVEHTM-UHFFFAOYSA-N
XLogP3.33
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 22687128
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 20993434
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
N-(cyanomethyl)-2-(1-formylnaphthalen-2-yl)oxy-N-phenylacetamide
CID 38899195

Frequently Asked Questions

What is the IUPAC name of 4-(1-formylnaphthalen-2-yl)oxybutanenitrile?
The IUPAC name of 4-(1-formylnaphthalen-2-yl)oxybutanenitrile (CID 43389591) is 4-(1-formylnaphthalen-2-yl)oxybutanenitrile.
What is the SMILES notation for 4-(1-formylnaphthalen-2-yl)oxybutanenitrile?
The canonical SMILES for 4-(1-formylnaphthalen-2-yl)oxybutanenitrile is N#CCCCOc1ccc2ccccc2c1C=O.
What is the InChIKey of 4-(1-formylnaphthalen-2-yl)oxybutanenitrile?
The InChIKey is VVNXKSHKRVEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-9-3-4-10-18-15-8-7-12-5-1-2-6-13(12)14(15)11-17/h1-2,5-8,11H,3-4,10H2.
What are the key properties of 4-(1-formylnaphthalen-2-yl)oxybutanenitrile?
4-(1-formylnaphthalen-2-yl)oxybutanenitrile has a molecular weight of 239.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formylnaphthalen-2-yl)oxybutanenitrile is sourced from PubChem (CID 43389591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).