3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde

C11H14O4 — CID 89120820

IUPAC3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
SMILESCOCOc1c(C)cc(C=O)cc1OC
InChIInChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(14-3)11(8)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeyZQFXHWVKSKYSKW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds5

About 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde

3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde (PubChem CID 89120820) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
PubChem CID89120820
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
SMILESCOCOc1c(C)cc(C=O)cc1OC
InChIInChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(14-3)11(8)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeyZQFXHWVKSKYSKW-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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'}

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Related Compounds

4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
4-(methoxymethoxy)-3,5-di(propan-2-yl)benzaldehyde
CID 19936350
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
tert-butyl N-[2-(4-formyl-2-methoxy-6-methylphenoxy)ethyl]carbamate
CID 163564266
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde
CID 142588190

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde?
The IUPAC name of 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde (CID 89120820) is 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde?
The canonical SMILES for 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde is COCOc1c(C)cc(C=O)cc1OC.
What is the InChIKey of 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde?
The InChIKey is ZQFXHWVKSKYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(14-3)11(8)15-7-13-2/h4-6H,7H2,1-3H3.
What are the key properties of 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde?
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 89120820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).