3,4-dimethoxy-5-(methoxymethyl)benzaldehyde

C11H14O4 — CID 117275838

IUPAC3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
SMILESCOCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C11H14O4/c1-13-7-9-4-8(6-12)5-10(14-2)11(9)15-3/h4-6H,7H2,1-3H3
InChIKeyRSAYNAAMSDPASU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.66
Rot. Bonds5

About 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde

3,4-dimethoxy-5-(methoxymethyl)benzaldehyde (PubChem CID 117275838) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
PubChem CID117275838
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
SMILESCOCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C11H14O4/c1-13-7-9-4-8(6-12)5-10(14-2)11(9)15-3/h4-6H,7H2,1-3H3
InChIKeyRSAYNAAMSDPASU-UHFFFAOYSA-N
XLogP1.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
2-(5-formyl-2,3-dimethoxyphenyl)acetonitrile
CID 117293177
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3,4-dimethoxy-5-[2-(methylamino)ethyl]benzaldehyde
CID 117320008
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
3-(3-hydroxyprop-1-enyl)-4,5-dimethoxybenzaldehyde
CID 169454316
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde?
The IUPAC name of 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde (CID 117275838) is 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde?
The canonical SMILES for 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde is COCc1cc(C=O)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde?
The InChIKey is RSAYNAAMSDPASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-7-9-4-8(6-12)5-10(14-2)11(9)15-3/h4-6H,7H2,1-3H3.
What are the key properties of 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde?
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 117275838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).