3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde

C16H17NO3 — CID 82896972

IUPAC3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCCn1ccccc1=O
InChIInChI=1S/C16H17NO3/c1-12-9-14(11-18)10-13(2)16(12)20-8-7-17-6-4-3-5-15(17)19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyOCGZHIOFPROICZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.36
Rot. Bonds5

About 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde

3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde (PubChem CID 82896972) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
PubChem CID82896972
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCCn1ccccc1=O
InChIInChI=1S/C16H17NO3/c1-12-9-14(11-18)10-13(2)16(12)20-8-7-17-6-4-3-5-15(17)19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyOCGZHIOFPROICZ-UHFFFAOYSA-N
XLogP2.36
TPSA48.30 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 ≤ 52.36
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

1-[2-(4-amino-2,6-dibromophenoxy)ethyl]pyridin-2-one
CID 82897267
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde?
The IUPAC name of 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde (CID 82896972) is 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde.
What is the SMILES notation for 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde?
The canonical SMILES for 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde is Cc1cc(C=O)cc(C)c1OCCn1ccccc1=O.
What is the InChIKey of 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde?
The InChIKey is OCGZHIOFPROICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-9-14(11-18)10-13(2)16(12)20-8-7-17-6-4-3-5-15(17)19/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde?
3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde is sourced from PubChem (CID 82896972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).