3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde

C15H15NO3 — CID 60893026

IUPAC3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCc1ccncc1
InChIInChI=1S/C15H15NO3/c1-18-14-4-2-3-13(11-17)15(14)19-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3
InChIKeyBRZCRVZJURFJEM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds6

About 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde

3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde (PubChem CID 60893026) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
PubChem CID60893026
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCc1ccncc1
InChIInChI=1S/C15H15NO3/c1-18-14-4-2-3-13(11-17)15(14)19-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3
InChIKeyBRZCRVZJURFJEM-UHFFFAOYSA-N
XLogP2.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
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

2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
CID 115955548
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde (CID 60893026) is 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde is COc1cccc(C=O)c1OCCc1ccncc1.
What is the InChIKey of 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde?
The InChIKey is BRZCRVZJURFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-14-4-2-3-13(11-17)15(14)19-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde?
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde is sourced from PubChem (CID 60893026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).