5-methoxy-2-(methoxymethoxy)benzaldehyde

C10H12O4 — CID 11435522

IUPAC5-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1ccc(OC)cc1C=O
InChIInChI=1S/C10H12O4/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11/h3-6H,7H2,1-2H3
InChIKeyWSMHWPOBGUNBJR-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.49
Rot. Bonds5

About 5-methoxy-2-(methoxymethoxy)benzaldehyde

5-methoxy-2-(methoxymethoxy)benzaldehyde (PubChem CID 11435522) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-methoxy-2-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(methoxymethoxy)benzaldehyde
PubChem CID11435522
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1ccc(OC)cc1C=O
InChIInChI=1S/C10H12O4/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11/h3-6H,7H2,1-2H3
InChIKeyWSMHWPOBGUNBJR-UHFFFAOYSA-N
XLogP1.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(methoxymethoxy)benzaldehyde 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 5-methoxy-2-(methoxymethoxy)benzaldehyde?
The IUPAC name of 5-methoxy-2-(methoxymethoxy)benzaldehyde (CID 11435522) is 5-methoxy-2-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(methoxymethoxy)benzaldehyde is COCOc1ccc(OC)cc1C=O.
What is the InChIKey of 5-methoxy-2-(methoxymethoxy)benzaldehyde?
The InChIKey is WSMHWPOBGUNBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11/h3-6H,7H2,1-2H3.
What are the key properties of 5-methoxy-2-(methoxymethoxy)benzaldehyde?
5-methoxy-2-(methoxymethoxy)benzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 11435522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).