4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one

C22H23NO2 — CID 118723628

IUPAC4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(Oc2ccccc2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H23NO2/c1-16(2)21-20(25-19-11-7-4-8-12-19)15-18(23-22(21)24)14-13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
InChIKeyBNZDDDKUKQLWNN-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.08
Rot. Bonds6

About 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one

4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 118723628) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
PubChem CID118723628
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(Oc2ccccc2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H23NO2/c1-16(2)21-20(25-19-11-7-4-8-12-19)15-18(23-22(21)24)14-13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
InChIKeyBNZDDDKUKQLWNN-UHFFFAOYSA-N
XLogP5.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one (CID 118723628) is 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(Oc2ccccc2)cc(CCc2ccccc2)[nH]c1=O.
What is the InChIKey of 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is BNZDDDKUKQLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(2)21-20(25-19-11-7-4-8-12-19)15-18(23-22(21)24)14-13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 118723628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).