4-(oxetan-3-yloxy)benzonitrile

C10H9NO2 — CID 56604390

IUPAC4-(oxetan-3-yloxy)benzonitrile
SMILESN#Cc1ccc(OC2COC2)cc1
InChIInChI=1S/C10H9NO2/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10/h1-4,10H,6-7H2
InChIKeyNWXAOSHVJHQPLH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.34
Rot. Bonds2

About 4-(oxetan-3-yloxy)benzonitrile

4-(oxetan-3-yloxy)benzonitrile (PubChem CID 56604390) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(oxetan-3-yloxy)benzonitrile.

Molecular Properties

Compound Name4-(oxetan-3-yloxy)benzonitrile
PubChem CID56604390
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-(oxetan-3-yloxy)benzonitrile
SMILESN#Cc1ccc(OC2COC2)cc1
InChIInChI=1S/C10H9NO2/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10/h1-4,10H,6-7H2
InChIKeyNWXAOSHVJHQPLH-UHFFFAOYSA-N
XLogP1.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
CID 118071296
ethane;4-(oxetan-3-yloxy)aniline
CID 169232472
4-methoxy-3-(oxetan-3-yloxy)benzonitrile
CID 117293213
4-[2-(oxolan-3-yloxy)ethoxy]benzonitrile
CID 63557241
5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
CID 102606270
4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
N-methyl-1-[4-(oxetan-3-yloxy)phenyl]methanamine
CID 83484226
4-amino-3,5-bis(oxetan-3-yloxy)benzonitrile
CID 151493101
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
4-[4-(3-oxocyclopentyl)oxyphenyl]benzonitrile
CID 79639113
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523

Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-yloxy)benzonitrile?
The IUPAC name of 4-(oxetan-3-yloxy)benzonitrile (CID 56604390) is 4-(oxetan-3-yloxy)benzonitrile.
What is the SMILES notation for 4-(oxetan-3-yloxy)benzonitrile?
The canonical SMILES for 4-(oxetan-3-yloxy)benzonitrile is N#Cc1ccc(OC2COC2)cc1.
What is the InChIKey of 4-(oxetan-3-yloxy)benzonitrile?
The InChIKey is NWXAOSHVJHQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10/h1-4,10H,6-7H2.
What are the key properties of 4-(oxetan-3-yloxy)benzonitrile?
4-(oxetan-3-yloxy)benzonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-yloxy)benzonitrile is sourced from PubChem (CID 56604390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).