3-(oxetan-3-yloxy)benzaldehyde

C10H10O3 — CID 83482101

IUPAC3-(oxetan-3-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC2COC2)c1
InChIInChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-5,10H,6-7H2
InChIKeyJZKAZQZYZGBPFL-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.28
Rot. Bonds3

About 3-(oxetan-3-yloxy)benzaldehyde

3-(oxetan-3-yloxy)benzaldehyde (PubChem CID 83482101) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(oxetan-3-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-(oxetan-3-yloxy)benzaldehyde
PubChem CID83482101
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-(oxetan-3-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC2COC2)c1
InChIInChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-5,10H,6-7H2
InChIKeyJZKAZQZYZGBPFL-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
CID 64736330
3-pyrrolidin-3-yloxybenzaldehyde
CID 87190134
3-(3-bromophenoxy)oxetane
CID 83487082
3-[3-(oxetan-3-yloxy)phenyl]butanal
CID 117314315
3-(oxetan-3-ylmethyl)benzaldehyde
CID 176709623
(3-formylphenyl) formate
CID 58195323
3-(fluoromethoxy)benzaldehyde
CID 22718686
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119
(E)-3-[3-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135195
2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
CID 84771028
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yloxy)benzaldehyde?
The IUPAC name of 3-(oxetan-3-yloxy)benzaldehyde (CID 83482101) is 3-(oxetan-3-yloxy)benzaldehyde.
What is the SMILES notation for 3-(oxetan-3-yloxy)benzaldehyde?
The canonical SMILES for 3-(oxetan-3-yloxy)benzaldehyde is O=Cc1cccc(OC2COC2)c1.
What is the InChIKey of 3-(oxetan-3-yloxy)benzaldehyde?
The InChIKey is JZKAZQZYZGBPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-5,10H,6-7H2.
What are the key properties of 3-(oxetan-3-yloxy)benzaldehyde?
3-(oxetan-3-yloxy)benzaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yloxy)benzaldehyde is sourced from PubChem (CID 83482101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).