2-(4-ethylphenoxy)-4-methoxybenzonitrile

C16H15NO2 — CID 81306042

IUPAC2-(4-ethylphenoxy)-4-methoxybenzonitrile
SMILESCCc1ccc(Oc2cc(OC)ccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h4-10H,3H2,1-2H3
InChIKeyTVNOKANUCJWLNM-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-ethylphenoxy)-4-methoxybenzonitrile

2-(4-ethylphenoxy)-4-methoxybenzonitrile (PubChem CID 81306042) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-4-methoxybenzonitrile
PubChem CID81306042
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(4-ethylphenoxy)-4-methoxybenzonitrile
SMILESCCc1ccc(Oc2cc(OC)ccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h4-10H,3H2,1-2H3
InChIKeyTVNOKANUCJWLNM-UHFFFAOYSA-N
XLogP3.92
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-4-methoxybenzonitrile?
The IUPAC name of 2-(4-ethylphenoxy)-4-methoxybenzonitrile (CID 81306042) is 2-(4-ethylphenoxy)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(4-ethylphenoxy)-4-methoxybenzonitrile?
The canonical SMILES for 2-(4-ethylphenoxy)-4-methoxybenzonitrile is CCc1ccc(Oc2cc(OC)ccc2C#N)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-4-methoxybenzonitrile?
The InChIKey is TVNOKANUCJWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h4-10H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-4-methoxybenzonitrile?
2-(4-ethylphenoxy)-4-methoxybenzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-4-methoxybenzonitrile is sourced from PubChem (CID 81306042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).