2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile

C19H14N2O3 — CID 57402655

IUPAC2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
SMILESCOc1ccc(Oc2cc(Oc3cccnc3)ccc2C#N)cc1
InChIInChI=1S/C19H14N2O3/c1-22-15-6-8-16(9-7-15)24-19-11-17(5-4-14(19)12-20)23-18-3-2-10-21-13-18/h2-11,13H,1H3
InChIKeyODYGBGVXNFTIMF-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.55
Rot. Bonds5

About 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile

2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile (PubChem CID 57402655) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
PubChem CID57402655
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
SMILESCOc1ccc(Oc2cc(Oc3cccnc3)ccc2C#N)cc1
InChIInChI=1S/C19H14N2O3/c1-22-15-6-8-16(9-7-15)24-19-11-17(5-4-14(19)12-20)23-18-3-2-10-21-13-18/h2-11,13H,1H3
InChIKeyODYGBGVXNFTIMF-UHFFFAOYSA-N
XLogP4.55
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(3-iodophenoxy)-4-methoxybenzonitrile
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4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile?
The IUPAC name of 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile (CID 57402655) is 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile.
What is the SMILES notation for 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile?
The canonical SMILES for 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile is COc1ccc(Oc2cc(Oc3cccnc3)ccc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile?
The InChIKey is ODYGBGVXNFTIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-22-15-6-8-16(9-7-15)24-19-11-17(5-4-14(19)12-20)23-18-3-2-10-21-13-18/h2-11,13H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile?
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile has a molecular weight of 318.33 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile is sourced from PubChem (CID 57402655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).