4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile

C16H14FNO2 — CID 90942860

IUPAC4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
SMILESCOc1cc(OCCc2ccccc2F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-19-16-10-14(7-6-13(16)11-18)20-9-8-12-4-2-3-5-15(12)17/h2-7,10H,8-9H2,1H3
InChIKeyNOZIITXHPSGOHT-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.33
Rot. Bonds5

About 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile

4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile (PubChem CID 90942860) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
PubChem CID90942860
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
SMILESCOc1cc(OCCc2ccccc2F)ccc1C#N
InChIInChI=1S/C16H14FNO2/c1-19-16-10-14(7-6-13(16)11-18)20-9-8-12-4-2-3-5-15(12)17/h2-7,10H,8-9H2,1H3
InChIKeyNOZIITXHPSGOHT-UHFFFAOYSA-N
XLogP3.33
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
5-(4-cyano-3-methoxyphenoxy)pentanoic acid
CID 123565317
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65344353
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile (CID 90942860) is 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile is COc1cc(OCCc2ccccc2F)ccc1C#N.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile?
The InChIKey is NOZIITXHPSGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-16-10-14(7-6-13(16)11-18)20-9-8-12-4-2-3-5-15(12)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile?
4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile has a molecular weight of 271.29 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-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile is sourced from PubChem (CID 90942860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).