3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde

C19H20FNO2 — CID 167254120

IUPAC3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde
SMILESO=Cc1cc(CCc2cccc(N3CCCC3)c2)cc(F)c1O
InChIInChI=1S/C19H20FNO2/c20-18-12-15(10-16(13-22)19(18)23)7-6-14-4-3-5-17(11-14)21-8-1-2-9-21/h3-5,10-13,23H,1-2,6-9H2
InChIKeyPPLRFQBIDKCPPO-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.73
Rot. Bonds5

About 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde

3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde (PubChem CID 167254120) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde
PubChem CID167254120
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde
SMILESO=Cc1cc(CCc2cccc(N3CCCC3)c2)cc(F)c1O
InChIInChI=1S/C19H20FNO2/c20-18-12-15(10-16(13-22)19(18)23)7-6-14-4-3-5-17(11-14)21-8-1-2-9-21/h3-5,10-13,23H,1-2,6-9H2
InChIKeyPPLRFQBIDKCPPO-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
CID 155143537
3-fluoro-2-hydroxy-5-[4-oxo-3-(3-pyrrolidin-1-ylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]benzaldehyde
CID 163230167
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
3-[3-(azepan-1-yl)phenyl]propan-1-amine
CID 28806993
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
CID 155143622
3-fluoro-2-hydroxy-5-[(2S,3S)-3-methyl-2-(3-pyrrolidin-1-ylphenyl)morpholine-4-carbonyl]benzaldehyde
CID 170688087
pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate
CID 175461303
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336
5-[(Z)-1-amino-2-(N-amino-4-pyrrolidin-1-ylanilino)ethenyl]-3-fluoro-2-hydroxybenzaldehyde
CID 155157452
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)triazol-1-yl]benzaldehyde
CID 155143412
3-fluoro-2-hydroxy-5-[3-(4-pyrrolidin-1-ylphenyl)pyrrolidine-1-carbonyl]benzaldehyde
CID 163230160
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)piperidin-1-yl]sulfonylbenzaldehyde
CID 163230266

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde (CID 167254120) is 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde is O=Cc1cc(CCc2cccc(N3CCCC3)c2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde?
The InChIKey is PPLRFQBIDKCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-18-12-15(10-16(13-22)19(18)23)7-6-14-4-3-5-17(11-14)21-8-1-2-9-21/h3-5,10-13,23H,1-2,6-9H2.
What are the key properties of 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde?
3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde has a molecular weight of 313.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde is sourced from PubChem (CID 167254120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).