2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol

C18H14FNO — CID 46901611

IUPAC2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F
InChIInChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2
InChIKeySFFLHOMUFWFHRI-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.18
Rot. Bonds3

About 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol

2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol (PubChem CID 46901611) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol
PubChem CID46901611
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol
SMILESOc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F
InChIInChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2
InChIKeySFFLHOMUFWFHRI-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The IUPAC name of 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol (CID 46901611) is 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol is Oc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol?
The InChIKey is SFFLHOMUFWFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2.
What are the key properties of 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol?
2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol has a molecular weight of 279.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenol is sourced from PubChem (CID 46901611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).