3,6-dimethoxy-2-(methoxymethyl)benzaldehyde

C11H14O4 — CID 10512624

IUPAC3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
SMILESCOCc1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C11H14O4/c1-13-7-9-8(6-12)10(14-2)4-5-11(9)15-3/h4-6H,7H2,1-3H3
InChIKeyOFYLXMIKKPQVQL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.66
Rot. Bonds5

About 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde

3,6-dimethoxy-2-(methoxymethyl)benzaldehyde (PubChem CID 10512624) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
PubChem CID10512624
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
SMILESCOCc1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C11H14O4/c1-13-7-9-8(6-12)10(14-2)4-5-11(9)15-3/h4-6H,7H2,1-3H3
InChIKeyOFYLXMIKKPQVQL-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

2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
CID 174699052
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate
CID 86741085
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde?
The IUPAC name of 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde (CID 10512624) is 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde?
The canonical SMILES for 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde is COCc1c(OC)ccc(OC)c1C=O.
What is the InChIKey of 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde?
The InChIKey is OFYLXMIKKPQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-7-9-8(6-12)10(14-2)4-5-11(9)15-3/h4-6H,7H2,1-3H3.
What are the key properties of 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde?
3,6-dimethoxy-2-(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 3,6-dimethoxy-2-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 10512624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).