4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol

C21H23ClFNO2 — CID 118753531

IUPAC4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol
SMILESOC(CCCN1C=CC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-11,14,20,25-26H,1-2,12-13,15H2
InChIKeyMFRRKLRVXZYOMO-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.40
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol (PubChem CID 118753531) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol
PubChem CID118753531
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol
SMILESOC(CCCN1C=CC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-11,14,20,25-26H,1-2,12-13,15H2
InChIKeyMFRRKLRVXZYOMO-UHFFFAOYSA-N
XLogP4.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol (CID 118753531) is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol is OC(CCCN1C=CC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol?
The InChIKey is MFRRKLRVXZYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-11,14,20,25-26H,1-2,12-13,15H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol has a molecular weight of 375.87 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-2,3-dihydropyridin-4-ol is sourced from PubChem (CID 118753531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).