5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one

C18H14FNO2 — CID 122200240

IUPAC5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)c[nH]1
InChIInChI=1S/C18H14FNO2/c19-16-10-14(15-7-9-18(21)20-11-15)6-8-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyYZMXRVPVKABNOJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.76
Rot. Bonds4

About 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one

5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one (PubChem CID 122200240) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
PubChem CID122200240
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)c[nH]1
InChIInChI=1S/C18H14FNO2/c19-16-10-14(15-7-9-18(21)20-11-15)6-8-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyYZMXRVPVKABNOJ-UHFFFAOYSA-N
XLogP3.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one (CID 122200240) is 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)c[nH]1.
What is the InChIKey of 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is YZMXRVPVKABNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-16-10-14(15-7-9-18(21)20-11-15)6-8-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21).
What are the key properties of 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one?
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 295.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 122200240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).