3-methoxy-2-(methoxymethoxy)benzaldehyde

C10H12O4 — CID 11644081

IUPAC3-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(C=O)cccc1OC
InChIInChI=1S/C10H12O4/c1-12-7-14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,7H2,1-2H3
InChIKeyCFVAGKYMCIDGCI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.49
Rot. Bonds5

About 3-methoxy-2-(methoxymethoxy)benzaldehyde

3-methoxy-2-(methoxymethoxy)benzaldehyde (PubChem CID 11644081) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethoxy)benzaldehyde
PubChem CID11644081
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-methoxy-2-(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(C=O)cccc1OC
InChIInChI=1S/C10H12O4/c1-12-7-14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,7H2,1-2H3
InChIKeyCFVAGKYMCIDGCI-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'}

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Related Compounds

3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
(1E,6E)-1,7-bis[3-methoxy-2-(methoxymethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 68553300
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(methoxymethoxy)benzaldehyde (CID 11644081) is 3-methoxy-2-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(methoxymethoxy)benzaldehyde is COCOc1c(C=O)cccc1OC.
What is the InChIKey of 3-methoxy-2-(methoxymethoxy)benzaldehyde?
The InChIKey is CFVAGKYMCIDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-12-7-14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,7H2,1-2H3.
What are the key properties of 3-methoxy-2-(methoxymethoxy)benzaldehyde?
3-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 3-methoxy-2-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 11644081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).