4-(3-methoxycyclobutyl)oxybenzonitrile

C12H13NO2 — CID 169088074

IUPAC4-(3-methoxycyclobutyl)oxybenzonitrile
SMILESCOC1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C12H13NO2/c1-14-11-6-12(7-11)15-10-4-2-9(8-13)3-5-10/h2-5,11-12H,6-7H2,1H3
InChIKeyQSPSJBLPYDICHL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.11
Rot. Bonds3

About 4-(3-methoxycyclobutyl)oxybenzonitrile

4-(3-methoxycyclobutyl)oxybenzonitrile (PubChem CID 169088074) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-methoxycyclobutyl)oxybenzonitrile.

Molecular Properties

Compound Name4-(3-methoxycyclobutyl)oxybenzonitrile
PubChem CID169088074
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(3-methoxycyclobutyl)oxybenzonitrile
SMILESCOC1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C12H13NO2/c1-14-11-6-12(7-11)15-10-4-2-9(8-13)3-5-10/h2-5,11-12H,6-7H2,1H3
InChIKeyQSPSJBLPYDICHL-UHFFFAOYSA-N
XLogP2.11
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
CID 118071296
4-(oxetan-3-yloxy)benzonitrile
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4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
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4-[(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzonitrile
CID 122255640
4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile
CID 43292357
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-[4-(3-oxocyclopentyl)oxyphenyl]benzonitrile
CID 79639113
4-methyliodanuidyloxybenzonitrile
CID 163632501
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile
CID 167837684

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclobutyl)oxybenzonitrile?
The IUPAC name of 4-(3-methoxycyclobutyl)oxybenzonitrile (CID 169088074) is 4-(3-methoxycyclobutyl)oxybenzonitrile.
What is the SMILES notation for 4-(3-methoxycyclobutyl)oxybenzonitrile?
The canonical SMILES for 4-(3-methoxycyclobutyl)oxybenzonitrile is COC1CC(Oc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-(3-methoxycyclobutyl)oxybenzonitrile?
The InChIKey is QSPSJBLPYDICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-6-12(7-11)15-10-4-2-9(8-13)3-5-10/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 4-(3-methoxycyclobutyl)oxybenzonitrile?
4-(3-methoxycyclobutyl)oxybenzonitrile has a molecular weight of 203.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclobutyl)oxybenzonitrile is sourced from PubChem (CID 169088074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).