4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol

C21H18FNO2 — CID 70185879

IUPAC4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol
SMILESOC(C=Cc1cc(F)ccn1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c22-18-12-13-23-19(14-18)8-9-20(24)15-25-21-10-6-17(7-11-21)16-4-2-1-3-5-16/h1-14,20,24H,15H2
InChIKeyGKTCIHAZTITYTH-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.34
Rot. Bonds6

About 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol

4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol (PubChem CID 70185879) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol.

Molecular Properties

Compound Name4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol
PubChem CID70185879
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol
SMILESOC(C=Cc1cc(F)ccn1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c22-18-12-13-23-19(14-18)8-9-20(24)15-25-21-10-6-17(7-11-21)16-4-2-1-3-5-16/h1-14,20,24H,15H2
InChIKeyGKTCIHAZTITYTH-UHFFFAOYSA-N
XLogP4.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol?
The IUPAC name of 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol (CID 70185879) is 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol.
What is the SMILES notation for 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol?
The canonical SMILES for 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol is OC(C=Cc1cc(F)ccn1)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol?
The InChIKey is GKTCIHAZTITYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c22-18-12-13-23-19(14-18)8-9-20(24)15-25-21-10-6-17(7-11-21)16-4-2-1-3-5-16/h1-14,20,24H,15H2.
What are the key properties of 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol?
4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol has a molecular weight of 335.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-pyridinyl)-1-(4-phenylphenoxy)but-3-en-2-ol is sourced from PubChem (CID 70185879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).