4-(2-hydroxyphenyl)azetidine-2-carbaldehyde

C10H11NO2 — CID 174681874

IUPAC4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
SMILESO=CC1CC(c2ccccc2O)N1
InChIInChI=1S/C10H11NO2/c12-6-7-5-9(11-7)8-3-1-2-4-10(8)13/h1-4,6-7,9,11,13H,5H2
InChIKeyMFWUTOUECXEGTP-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.99
Rot. Bonds2

About 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde

4-(2-hydroxyphenyl)azetidine-2-carbaldehyde (PubChem CID 174681874) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
PubChem CID174681874
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
SMILESO=CC1CC(c2ccccc2O)N1
InChIInChI=1S/C10H11NO2/c12-6-7-5-9(11-7)8-3-1-2-4-10(8)13/h1-4,6-7,9,11,13H,5H2
InChIKeyMFWUTOUECXEGTP-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde?
The IUPAC name of 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde (CID 174681874) is 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde.
What is the SMILES notation for 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde?
The canonical SMILES for 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde is O=CC1CC(c2ccccc2O)N1.
What is the InChIKey of 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde?
The InChIKey is MFWUTOUECXEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-7-5-9(11-7)8-3-1-2-4-10(8)13/h1-4,6-7,9,11,13H,5H2.
What are the key properties of 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde?
4-(2-hydroxyphenyl)azetidine-2-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)azetidine-2-carbaldehyde is sourced from PubChem (CID 174681874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).