4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

C18H19F2NO3 — CID 22051069

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1CC1CCCO1
InChIInChI=1S/C18H19F2NO3/c1-12-7-16(24-11-13-4-5-14(19)8-17(13)20)9-18(22)21(12)10-15-3-2-6-23-15/h4-5,7-9,15H,2-3,6,10-11H2,1H3
InChIKeyWZXAKNIRLLOOCT-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.19
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 22051069) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID22051069
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1CC1CCCO1
InChIInChI=1S/C18H19F2NO3/c1-12-7-16(24-11-13-4-5-14(19)8-17(13)20)9-18(22)21(12)10-15-3-2-6-23-15/h4-5,7-9,15H,2-3,6,10-11H2,1H3
InChIKeyWZXAKNIRLLOOCT-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 22051069) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1CC1CCCO1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is WZXAKNIRLLOOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-12-7-16(24-11-13-4-5-14(19)8-17(13)20)9-18(22)21(12)10-15-3-2-6-23-15/h4-5,7-9,15H,2-3,6,10-11H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 335.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 22051069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).