3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one

C22H23NO2 — CID 44624010

IUPAC3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cc(Cc2ccccc2)c(O)c(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C22H23NO2/c1-22(2,3)17-13-16(12-15-8-5-4-6-9-15)20(24)19(14-17)18-10-7-11-23-21(18)25/h4-11,13-14,24H,12H2,1-3H3,(H,23,25)
InChIKeyVQBPPGIRIPNTLB-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.64
Rot. Bonds3

About 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one

3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one (PubChem CID 44624010) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one
PubChem CID44624010
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cc(Cc2ccccc2)c(O)c(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C22H23NO2/c1-22(2,3)17-13-16(12-15-8-5-4-6-9-15)20(24)19(14-17)18-10-7-11-23-21(18)25/h4-11,13-14,24H,12H2,1-3H3,(H,23,25)
InChIKeyVQBPPGIRIPNTLB-UHFFFAOYSA-N
XLogP4.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one (CID 44624010) is 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one is CC(C)(C)c1cc(Cc2ccccc2)c(O)c(-c2ccc[nH]c2=O)c1.
What is the InChIKey of 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one?
The InChIKey is VQBPPGIRIPNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-22(2,3)17-13-16(12-15-8-5-4-6-9-15)20(24)19(14-17)18-10-7-11-23-21(18)25/h4-11,13-14,24H,12H2,1-3H3,(H,23,25).
What are the key properties of 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one?
3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-5-tert-butyl-2-hydroxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44624010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).