4-methoxy-2-(2-phenylethoxy)benzonitrile

C16H15NO2 — CID 20986806

IUPAC4-methoxy-2-(2-phenylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-18-15-8-7-14(12-17)16(11-15)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyUBTAZDFGKFZGHT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.19
Rot. Bonds5

About 4-methoxy-2-(2-phenylethoxy)benzonitrile

4-methoxy-2-(2-phenylethoxy)benzonitrile (PubChem CID 20986806) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methoxy-2-(2-phenylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-phenylethoxy)benzonitrile
PubChem CID20986806
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-methoxy-2-(2-phenylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-18-15-8-7-14(12-17)16(11-15)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyUBTAZDFGKFZGHT-UHFFFAOYSA-N
XLogP3.19
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
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2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
CID 106447586
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-bromo-2-(3-phenylpropoxy)benzonitrile
CID 114902467
methyl 4-cyano-3-(4-phenylbutoxy)benzoate
CID 54500758
4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
CID 90942860
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
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2-[(E)-but-2-enoxy]-4-methoxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-phenylethoxy)benzonitrile?
The IUPAC name of 4-methoxy-2-(2-phenylethoxy)benzonitrile (CID 20986806) is 4-methoxy-2-(2-phenylethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-phenylethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2-phenylethoxy)benzonitrile is COc1ccc(C#N)c(OCCc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(2-phenylethoxy)benzonitrile?
The InChIKey is UBTAZDFGKFZGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-15-8-7-14(12-17)16(11-15)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-methoxy-2-(2-phenylethoxy)benzonitrile?
4-methoxy-2-(2-phenylethoxy)benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-phenylethoxy)benzonitrile is sourced from PubChem (CID 20986806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).