1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol

C19H16FNO2 — CID 15737992

IUPAC1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16FNO2/c20-18-7-5-17(6-8-18)19(23,13-22)16-3-1-14(2-4-16)15-9-11-21-12-10-15/h1-12,22-23H,13H2
InChIKeyGCJZNSYLVFKBEN-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol

1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol (PubChem CID 15737992) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol
PubChem CID15737992
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16FNO2/c20-18-7-5-17(6-8-18)19(23,13-22)16-3-1-14(2-4-16)15-9-11-21-12-10-15/h1-12,22-23H,13H2
InChIKeyGCJZNSYLVFKBEN-UHFFFAOYSA-N
XLogP3.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol (CID 15737992) is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol is OCC(O)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol?
The InChIKey is GCJZNSYLVFKBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-18-7-5-17(6-8-18)19(23,13-22)16-3-1-14(2-4-16)15-9-11-21-12-10-15/h1-12,22-23H,13H2.
What are the key properties of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol?
1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol has a molecular weight of 309.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)ethane-1,2-diol is sourced from PubChem (CID 15737992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).