4-methoxy-3-(oxetan-3-yloxy)benzonitrile

C11H11NO3 — CID 117293213

IUPAC4-methoxy-3-(oxetan-3-yloxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OC1COC1
InChIInChI=1S/C11H11NO3/c1-13-10-3-2-8(5-12)4-11(10)15-9-6-14-7-9/h2-4,9H,6-7H2,1H3
InChIKeyWCEAYKYAVGTLGS-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.34
Rot. Bonds3

About 4-methoxy-3-(oxetan-3-yloxy)benzonitrile

4-methoxy-3-(oxetan-3-yloxy)benzonitrile (PubChem CID 117293213) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-methoxy-3-(oxetan-3-yloxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-(oxetan-3-yloxy)benzonitrile
PubChem CID117293213
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-methoxy-3-(oxetan-3-yloxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OC1COC1
InChIInChI=1S/C11H11NO3/c1-13-10-3-2-8(5-12)4-11(10)15-9-6-14-7-9/h2-4,9H,6-7H2,1H3
InChIKeyWCEAYKYAVGTLGS-UHFFFAOYSA-N
XLogP1.34
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzonitrile
CID 64734756
4-amino-3,5-bis(oxetan-3-yloxy)benzonitrile
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4-(oxetan-3-yloxy)benzonitrile
CID 56604390
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
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2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
3-ethenoxy-4-methoxybenzonitrile
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(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117342269
3-methoxy-4-(2-oxooxolan-3-yl)oxybenzonitrile
CID 43176438
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxetan-3-yloxy)benzonitrile?
The IUPAC name of 4-methoxy-3-(oxetan-3-yloxy)benzonitrile (CID 117293213) is 4-methoxy-3-(oxetan-3-yloxy)benzonitrile.
What is the SMILES notation for 4-methoxy-3-(oxetan-3-yloxy)benzonitrile?
The canonical SMILES for 4-methoxy-3-(oxetan-3-yloxy)benzonitrile is COc1ccc(C#N)cc1OC1COC1.
What is the InChIKey of 4-methoxy-3-(oxetan-3-yloxy)benzonitrile?
The InChIKey is WCEAYKYAVGTLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-13-10-3-2-8(5-12)4-11(10)15-9-6-14-7-9/h2-4,9H,6-7H2,1H3.
What are the key properties of 4-methoxy-3-(oxetan-3-yloxy)benzonitrile?
4-methoxy-3-(oxetan-3-yloxy)benzonitrile has a molecular weight of 205.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxetan-3-yloxy)benzonitrile is sourced from PubChem (CID 117293213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).