3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde

C15H15NO3 — CID 78929137

IUPAC3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCOc1cccc(COc2ccc(C)nc2C=O)c1
InChIInChI=1S/C15H15NO3/c1-11-6-7-15(14(9-17)16-11)19-10-12-4-3-5-13(8-12)18-2/h3-9H,10H2,1-2H3
InChIKeyYXEORMVVOICTLY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds5

About 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 78929137) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID78929137
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCOc1cccc(COc2ccc(C)nc2C=O)c1
InChIInChI=1S/C15H15NO3/c1-11-6-7-15(14(9-17)16-11)19-10-12-4-3-5-13(8-12)18-2/h3-9H,10H2,1-2H3
InChIKeyYXEORMVVOICTLY-UHFFFAOYSA-N
XLogP2.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
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

6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 78929256
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 103173022
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
CID 81237760
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 78929137) is 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde is COc1cccc(COc2ccc(C)nc2C=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is YXEORMVVOICTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-6-7-15(14(9-17)16-11)19-10-12-4-3-5-13(8-12)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 78929137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).