1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one

C20H21NO3 — CID 135640811

IUPAC1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C20H21NO3/c1-15-12-18(22)14-20(23)21(15)10-9-17(19-8-5-11-24-19)13-16-6-3-2-4-7-16/h2-8,11-12,14,17,22H,9-10,13H2,1H3
InChIKeyPFLHPVRBWNKYEJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.87
Rot. Bonds6

About 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one

1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 135640811) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID135640811
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C20H21NO3/c1-15-12-18(22)14-20(23)21(15)10-9-17(19-8-5-11-24-19)13-16-6-3-2-4-7-16/h2-8,11-12,14,17,22H,9-10,13H2,1H3
InChIKeyPFLHPVRBWNKYEJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one (CID 135640811) is 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCC(Cc1ccccc1)c1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is PFLHPVRBWNKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15-12-18(22)14-20(23)21(15)10-9-17(19-8-5-11-24-19)13-16-6-3-2-4-7-16/h2-8,11-12,14,17,22H,9-10,13H2,1H3.
What are the key properties of 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one?
1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-4-phenylbutyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 135640811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).