oxaldehyde;phenol

C8H8O3 — CID 22672248

IUPACoxaldehyde;phenol
SMILESO=CC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H2O2/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;1-2H
InChIKeyFCBQCNJKXDUDPV-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.78
Rot. Bonds1

About oxaldehyde;phenol

oxaldehyde;phenol (PubChem CID 22672248) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is oxaldehyde;phenol.

Molecular Properties

Compound Nameoxaldehyde;phenol
PubChem CID22672248
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Nameoxaldehyde;phenol
SMILESO=CC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H2O2/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;1-2H
InChIKeyFCBQCNJKXDUDPV-UHFFFAOYSA-N
XLogP0.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxaldehyde;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;phenol?
The IUPAC name of oxaldehyde;phenol (CID 22672248) is oxaldehyde;phenol.
What is the SMILES notation for oxaldehyde;phenol?
The canonical SMILES for oxaldehyde;phenol is O=CC=O.Oc1ccccc1.
What is the InChIKey of oxaldehyde;phenol?
The InChIKey is FCBQCNJKXDUDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H2O2/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;1-2H.
What are the key properties of oxaldehyde;phenol?
oxaldehyde;phenol has a molecular weight of 152.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;phenol is sourced from PubChem (CID 22672248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).