4-(dimethoxymethyl)benzaldehyde

C10H12O3 — CID 15626275

IUPAC4-(dimethoxymethyl)benzaldehyde
SMILESCOC(OC)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O3/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-7,10H,1-2H3
InChIKeyARGTVLBJRMZPJB-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.79
Rot. Bonds4

About 4-(dimethoxymethyl)benzaldehyde

4-(dimethoxymethyl)benzaldehyde (PubChem CID 15626275) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(dimethoxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(dimethoxymethyl)benzaldehyde
PubChem CID15626275
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-(dimethoxymethyl)benzaldehyde
SMILESCOC(OC)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O3/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-7,10H,1-2H3
InChIKeyARGTVLBJRMZPJB-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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 4-(dimethoxymethyl)benzaldehyde?
The IUPAC name of 4-(dimethoxymethyl)benzaldehyde (CID 15626275) is 4-(dimethoxymethyl)benzaldehyde.
What is the SMILES notation for 4-(dimethoxymethyl)benzaldehyde?
The canonical SMILES for 4-(dimethoxymethyl)benzaldehyde is COC(OC)c1ccc(C=O)cc1.
What is the InChIKey of 4-(dimethoxymethyl)benzaldehyde?
The InChIKey is ARGTVLBJRMZPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-7,10H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)benzaldehyde?
4-(dimethoxymethyl)benzaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)benzaldehyde is sourced from PubChem (CID 15626275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).