4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde

C16H17NO3 — CID 117051990

IUPAC4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OC(C)(C)c1ccncc1
InChIInChI=1S/C16H17NO3/c1-16(2,13-6-8-17-9-7-13)20-15-10-12(11-18)4-5-14(15)19-3/h4-11H,1-3H3
InChIKeyWBXUFWFICSOSKI-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.22
Rot. Bonds5

About 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde

4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde (PubChem CID 117051990) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde
PubChem CID117051990
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde
SMILESCOc1ccc(C=O)cc1OC(C)(C)c1ccncc1
InChIInChI=1S/C16H17NO3/c1-16(2,13-6-8-17-9-7-13)20-15-10-12(11-18)4-5-14(15)19-3/h4-11H,1-3H3
InChIKeyWBXUFWFICSOSKI-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
sodium 4-formyl-2-methoxybenzenesulfonate
CID 134891952
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722
4-methoxy-3-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 102974983
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
CID 117051953

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde?
The IUPAC name of 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde (CID 117051990) is 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde is COc1ccc(C=O)cc1OC(C)(C)c1ccncc1.
What is the InChIKey of 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde?
The InChIKey is WBXUFWFICSOSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2,13-6-8-17-9-7-13)20-15-10-12(11-18)4-5-14(15)19-3/h4-11H,1-3H3.
What are the key properties of 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde?
4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-pyridin-4-ylpropan-2-yloxy)benzaldehyde is sourced from PubChem (CID 117051990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).