1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one

C18H22FNO2 — CID 16657801

IUPAC1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(Cc2cccc(F)c2C)c(=O)c1
InChIInChI=1S/C18H22FNO2/c1-3-4-5-11-22-16-9-10-20(18(21)12-16)13-15-7-6-8-17(19)14(15)2/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyIDIPYYGABXSLNE-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.91
Rot. Bonds7

About 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one

1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one (PubChem CID 16657801) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one
PubChem CID16657801
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(Cc2cccc(F)c2C)c(=O)c1
InChIInChI=1S/C18H22FNO2/c1-3-4-5-11-22-16-9-10-20(18(21)12-16)13-15-7-6-8-17(19)14(15)2/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyIDIPYYGABXSLNE-UHFFFAOYSA-N
XLogP3.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-2-methylphenyl)methyl]-4-[2-(4,5-dimethylthiophen-2-yl)ethoxy]pyridin-2-one
CID 67306939
1-[(3-amino-2-methylphenyl)methyl]-4-pentylsulfanylpyridin-2-one
CID 16656972
1-[(2,4-dichloro-5-fluorophenyl)methyl]-4-(3-methylbutoxy)pyridin-2-one
CID 67305182
1,3-dihexadecoxybenzene
CID 12686834
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
2-(4-butoxyphenyl)-1,3-difluorobenzene
CID 59931484
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
azane;1-ethoxy-3-pentoxybenzene
CID 68858003

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one?
The IUPAC name of 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one (CID 16657801) is 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one.
What is the SMILES notation for 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one?
The canonical SMILES for 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one is CCCCCOc1ccn(Cc2cccc(F)c2C)c(=O)c1.
What is the InChIKey of 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one?
The InChIKey is IDIPYYGABXSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-4-5-11-22-16-9-10-20(18(21)12-16)13-15-7-6-8-17(19)14(15)2/h6-10,12H,3-5,11,13H2,1-2H3.
What are the key properties of 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one?
1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one has a molecular weight of 303.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one is sourced from PubChem (CID 16657801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).