4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol

C19H16FNO — CID 171060855

IUPAC4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol
SMILESOc1ccc(F)cc1C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C19H16FNO/c20-16-6-7-19(22)18(13-16)17(15-4-2-1-3-5-15)12-14-8-10-21-11-9-14/h1-11,13,17,22H,12H2
InChIKeyQRTFSKQHXLZGFI-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.30
Rot. Bonds4

About 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol

4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol (PubChem CID 171060855) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol
PubChem CID171060855
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol
SMILESOc1ccc(F)cc1C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C19H16FNO/c20-16-6-7-19(22)18(13-16)17(15-4-2-1-3-5-15)12-14-8-10-21-11-9-14/h1-11,13,17,22H,12H2
InChIKeyQRTFSKQHXLZGFI-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.30
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-phenyl-2-pyridin-4-ylethyl)phenol?
The IUPAC name of 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol (CID 171060855) is 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol?
The canonical SMILES for 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol is Oc1ccc(F)cc1C(Cc1ccncc1)c1ccccc1.
What is the InChIKey of 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol?
The InChIKey is QRTFSKQHXLZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c20-16-6-7-19(22)18(13-16)17(15-4-2-1-3-5-15)12-14-8-10-21-11-9-14/h1-11,13,17,22H,12H2.
What are the key properties of 4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol?
4-fluoro-2-(1-phenyl-2-pyridin-4-ylethyl)phenol has a molecular weight of 293.34 g/mol, XLogP of 4.30, 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-phenyl-2-pyridin-4-ylethyl)phenol is sourced from PubChem (CID 171060855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).