2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde

C11H14O4 — CID 86226921

IUPAC2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1ccc(C)c(OC)c1C=O
InChIInChI=1S/C11H14O4/c1-8-4-5-10(15-7-13-2)9(6-12)11(8)14-3/h4-6H,7H2,1-3H3
InChIKeyNSXDNZTZCCGWET-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds5

About 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde

2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde (PubChem CID 86226921) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
PubChem CID86226921
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1ccc(C)c(OC)c1C=O
InChIInChI=1S/C11H14O4/c1-8-4-5-10(15-7-13-2)9(6-12)11(8)14-3/h4-6H,7H2,1-3H3
InChIKeyNSXDNZTZCCGWET-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
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975
3-ethoxy-6-methylphthalaldehyde
CID 171004125
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
CID 159836116
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde?
The IUPAC name of 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde (CID 86226921) is 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde.
What is the SMILES notation for 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde?
The canonical SMILES for 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde is COCOc1ccc(C)c(OC)c1C=O.
What is the InChIKey of 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde?
The InChIKey is NSXDNZTZCCGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-4-5-10(15-7-13-2)9(6-12)11(8)14-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde?
2-methoxy-6-(methoxymethoxy)-3-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 2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde is sourced from PubChem (CID 86226921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).