4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol

C19H15F2NO — CID 175529967

IUPAC4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol
SMILESOc1ccc(F)cc1C(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c20-15-3-1-14(2-4-15)17(11-13-7-9-22-10-8-13)18-12-16(21)5-6-19(18)23/h1-10,12,17,23H,11H2
InChIKeyPPYKJSZUCABGQH-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.44
Rot. Bonds4

About 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol

4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol (PubChem CID 175529967) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol
PubChem CID175529967
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol
SMILESOc1ccc(F)cc1C(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c20-15-3-1-14(2-4-15)17(11-13-7-9-22-10-8-13)18-12-16(21)5-6-19(18)23/h1-10,12,17,23H,11H2
InChIKeyPPYKJSZUCABGQH-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol (CID 175529967) is 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol is Oc1ccc(F)cc1C(Cc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol?
The InChIKey is PPYKJSZUCABGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO/c20-15-3-1-14(2-4-15)17(11-13-7-9-22-10-8-13)18-12-16(21)5-6-19(18)23/h1-10,12,17,23H,11H2.
What are the key properties of 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol?
4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol has a molecular weight of 311.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]phenol is sourced from PubChem (CID 175529967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).