4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde

C17H17NO2 — CID 82275259

IUPAC4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H17NO2/c19-13-14-3-7-16(8-4-14)20-17-9-5-15(6-10-17)18-11-1-2-12-18/h3-10,13H,1-2,11-12H2
InChIKeyNKOGWKMINWUVOP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde

4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde (PubChem CID 82275259) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
PubChem CID82275259
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H17NO2/c19-13-14-3-7-16(8-4-14)20-17-9-5-15(6-10-17)18-11-1-2-12-18/h3-10,13H,1-2,11-12H2
InChIKeyNKOGWKMINWUVOP-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoroazepan-1-yl)benzaldehyde
CID 115032624
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
CID 168514885
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-methoxyphenyl)piperidine
CID 10130315
4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzaldehyde
CID 63153102

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde?
The IUPAC name of 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde (CID 82275259) is 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde?
The canonical SMILES for 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde?
The InChIKey is NKOGWKMINWUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-13-14-3-7-16(8-4-14)20-17-9-5-15(6-10-17)18-11-1-2-12-18/h3-10,13H,1-2,11-12H2.
What are the key properties of 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde?
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde is sourced from PubChem (CID 82275259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).