2,2-dimethoxy-2-phenylacetaldehyde

C10H12O3 — CID 12567622

IUPAC2,2-dimethoxy-2-phenylacetaldehyde
SMILESCOC(C=O)(OC)c1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDTGGAMYWOSVFFM-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.33
Rot. Bonds4

About 2,2-dimethoxy-2-phenylacetaldehyde

2,2-dimethoxy-2-phenylacetaldehyde (PubChem CID 12567622) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,2-dimethoxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name2,2-dimethoxy-2-phenylacetaldehyde
PubChem CID12567622
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2,2-dimethoxy-2-phenylacetaldehyde
SMILESCOC(C=O)(OC)c1ccccc1
InChIInChI=1S/C10H12O3/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDTGGAMYWOSVFFM-UHFFFAOYSA-N
XLogP1.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-2-phenylacetaldehyde?
The IUPAC name of 2,2-dimethoxy-2-phenylacetaldehyde (CID 12567622) is 2,2-dimethoxy-2-phenylacetaldehyde.
What is the SMILES notation for 2,2-dimethoxy-2-phenylacetaldehyde?
The canonical SMILES for 2,2-dimethoxy-2-phenylacetaldehyde is COC(C=O)(OC)c1ccccc1.
What is the InChIKey of 2,2-dimethoxy-2-phenylacetaldehyde?
The InChIKey is DTGGAMYWOSVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10(8-11,13-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2,2-dimethoxy-2-phenylacetaldehyde?
2,2-dimethoxy-2-phenylacetaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-2-phenylacetaldehyde is sourced from PubChem (CID 12567622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).