5-methoxy-3-(methoxymethyl)phthalaldehyde

C11H12O4 — CID 86118704

IUPAC5-methoxy-3-(methoxymethyl)phthalaldehyde
SMILESCOCc1cc(OC)cc(C=O)c1C=O
InChIInChI=1S/C11H12O4/c1-14-7-9-4-10(15-2)3-8(5-12)11(9)6-13/h3-6H,7H2,1-2H3
InChIKeyNGFWWTZEBRUMDZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.47
Rot. Bonds5

About 5-methoxy-3-(methoxymethyl)phthalaldehyde

5-methoxy-3-(methoxymethyl)phthalaldehyde (PubChem CID 86118704) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-methoxy-3-(methoxymethyl)phthalaldehyde.

Molecular Properties

Compound Name5-methoxy-3-(methoxymethyl)phthalaldehyde
PubChem CID86118704
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-methoxy-3-(methoxymethyl)phthalaldehyde
SMILESCOCc1cc(OC)cc(C=O)c1C=O
InChIInChI=1S/C11H12O4/c1-14-7-9-4-10(15-2)3-8(5-12)11(9)6-13/h3-6H,7H2,1-2H3
InChIKeyNGFWWTZEBRUMDZ-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.47
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-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
CID 117349022
2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde
CID 150672330
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117475353
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
CID 170290856
2-acetyl-3-hydroxy-5-methoxybenzaldehyde
CID 176717400
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(methoxymethyl)phthalaldehyde?
The IUPAC name of 5-methoxy-3-(methoxymethyl)phthalaldehyde (CID 86118704) is 5-methoxy-3-(methoxymethyl)phthalaldehyde.
What is the SMILES notation for 5-methoxy-3-(methoxymethyl)phthalaldehyde?
The canonical SMILES for 5-methoxy-3-(methoxymethyl)phthalaldehyde is COCc1cc(OC)cc(C=O)c1C=O.
What is the InChIKey of 5-methoxy-3-(methoxymethyl)phthalaldehyde?
The InChIKey is NGFWWTZEBRUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-7-9-4-10(15-2)3-8(5-12)11(9)6-13/h3-6H,7H2,1-2H3.
What are the key properties of 5-methoxy-3-(methoxymethyl)phthalaldehyde?
5-methoxy-3-(methoxymethyl)phthalaldehyde has a molecular weight of 208.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(methoxymethyl)phthalaldehyde is sourced from PubChem (CID 86118704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).