2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde

C16H17NO3 — CID 82893166

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
SMILESCOc1cc(C)nc(COc2ccc(C)cc2C=O)c1
InChIInChI=1S/C16H17NO3/c1-11-4-5-16(13(6-11)9-18)20-10-14-8-15(19-3)7-12(2)17-14/h4-9H,10H2,1-3H3
InChIKeyXQPHCICUHCPOHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.10
Rot. Bonds5

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde

2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde (PubChem CID 82893166) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
PubChem CID82893166
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
SMILESCOc1cc(C)nc(COc2ccc(C)cc2C=O)c1
InChIInChI=1S/C16H17NO3/c1-11-4-5-16(13(6-11)9-18)20-10-14-8-15(19-3)7-12(2)17-14/h4-9H,10H2,1-3H3
InChIKeyXQPHCICUHCPOHS-UHFFFAOYSA-N
XLogP3.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.10
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

(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 82887878
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-4-methylphenyl]ethanol
CID 82888130
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
1-[5-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 116541105
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde (CID 82893166) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde is COc1cc(C)nc(COc2ccc(C)cc2C=O)c1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is XQPHCICUHCPOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-4-5-16(13(6-11)9-18)20-10-14-8-15(19-3)7-12(2)17-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde?
2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 82893166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).