3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal

C17H19NO3 — CID 18950750

IUPAC3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal
SMILESCOC(OC)c1ccc(C(CC=O)c2cccnc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-17(21-2)14-7-5-13(6-8-14)16(9-11-19)15-4-3-10-18-12-15/h3-8,10-12,16-17H,9H2,1-2H3
InChIKeyXJJDNMCDOWDQFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.09
Rot. Bonds7

About 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal

3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal (PubChem CID 18950750) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal.

Molecular Properties

Compound Name3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal
PubChem CID18950750
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal
SMILESCOC(OC)c1ccc(C(CC=O)c2cccnc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-17(21-2)14-7-5-13(6-8-14)16(9-11-19)15-4-3-10-18-12-15/h3-8,10-12,16-17H,9H2,1-2H3
InChIKeyXJJDNMCDOWDQFM-UHFFFAOYSA-N
XLogP3.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-ylbutanal
CID 12727117
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine
CID 70611529
2,2-dipyridin-3-ylethanol
CID 57450821
4-(4-hydroxy-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-one
CID 44588185
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
(3S)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanal
CID 90046541
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
2-[4-(dimethoxymethyl)phenyl]-5-pyridin-3-yloxypentanenitrile
CID 139700241
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal?
The IUPAC name of 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal (CID 18950750) is 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal.
What is the SMILES notation for 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal?
The canonical SMILES for 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal is COC(OC)c1ccc(C(CC=O)c2cccnc2)cc1.
What is the InChIKey of 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal?
The InChIKey is XJJDNMCDOWDQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-17(21-2)14-7-5-13(6-8-14)16(9-11-19)15-4-3-10-18-12-15/h3-8,10-12,16-17H,9H2,1-2H3.
What are the key properties of 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal?
3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal has a molecular weight of 285.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethoxymethyl)phenyl]-3-pyridin-3-ylpropanal is sourced from PubChem (CID 18950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).