2-ethoxy-2-phenylacetaldehyde

C10H12O2 — CID 10877461

IUPAC2-ethoxy-2-phenylacetaldehyde
SMILESCCOC(C=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyXHBFSRMCXSUONT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.96
Rot. Bonds4

About 2-ethoxy-2-phenylacetaldehyde

2-ethoxy-2-phenylacetaldehyde (PubChem CID 10877461) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethoxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-phenylacetaldehyde
PubChem CID10877461
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-ethoxy-2-phenylacetaldehyde
SMILESCCOC(C=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyXHBFSRMCXSUONT-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenylacetaldehyde?
The IUPAC name of 2-ethoxy-2-phenylacetaldehyde (CID 10877461) is 2-ethoxy-2-phenylacetaldehyde.
What is the SMILES notation for 2-ethoxy-2-phenylacetaldehyde?
The canonical SMILES for 2-ethoxy-2-phenylacetaldehyde is CCOC(C=O)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenylacetaldehyde?
The InChIKey is XHBFSRMCXSUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3.
What are the key properties of 2-ethoxy-2-phenylacetaldehyde?
2-ethoxy-2-phenylacetaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenylacetaldehyde is sourced from PubChem (CID 10877461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).