2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile

C20H17NO3 — CID 20994075

IUPAC2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
SMILESCOc1ccccc1OCCOc1ccc2ccccc2c1C#N
InChIInChI=1S/C20H17NO3/c1-22-19-8-4-5-9-20(19)24-13-12-23-18-11-10-15-6-2-3-7-16(15)17(18)14-21/h2-11H,12-13H2,1H3
InChIKeyYJDQFRPJOANKKJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.18
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile

2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile (PubChem CID 20994075) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
PubChem CID20994075
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
SMILESCOc1ccccc1OCCOc1ccc2ccccc2c1C#N
InChIInChI=1S/C20H17NO3/c1-22-19-8-4-5-9-20(19)24-13-12-23-18-11-10-15-6-2-3-7-16(15)17(18)14-21/h2-11H,12-13H2,1H3
InChIKeyYJDQFRPJOANKKJ-UHFFFAOYSA-N
XLogP4.18
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22685831
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22681976
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20992748
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22681770
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
3,4,5,6-tetranaphthalen-1-yloxybenzene-1,2-dicarbonitrile
CID 22104061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile (CID 20994075) is 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile is COc1ccccc1OCCOc1ccc2ccccc2c1C#N.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile?
The InChIKey is YJDQFRPJOANKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-22-19-8-4-5-9-20(19)24-13-12-23-18-11-10-15-6-2-3-7-16(15)17(18)14-21/h2-11H,12-13H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile?
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile is sourced from PubChem (CID 20994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).