6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one

C22H23NO2 — CID 102356090

IUPAC6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one
SMILESCc1cc(C)c(-c2c(C)ccc(=O)n2[C@@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C22H23NO2/c1-14-12-16(3)21(19(24)13-14)22-15(2)10-11-20(25)23(22)17(4)18-8-6-5-7-9-18/h5-13,17,24H,1-4H3/t17-/m0/s1
InChIKeyUYXNVIHJLSWYIS-KRWDZBQOSA-N
MW333.43 g/mol
LogP4.76
Rot. Bonds3

About 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one

6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one (PubChem CID 102356090) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one
PubChem CID102356090
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one
SMILESCc1cc(C)c(-c2c(C)ccc(=O)n2[C@@H](C)c2ccccc2)c(O)c1
InChIInChI=1S/C22H23NO2/c1-14-12-16(3)21(19(24)13-14)22-15(2)10-11-20(25)23(22)17(4)18-8-6-5-7-9-18/h5-13,17,24H,1-4H3/t17-/m0/s1
InChIKeyUYXNVIHJLSWYIS-KRWDZBQOSA-N
XLogP4.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
3-tert-butyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 91334185
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
1-benzhydryl-4,6,8-trimethylquinolin-2-one
CID 39765002
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
CID 11257527
6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
CID 12914074

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one?
The IUPAC name of 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one (CID 102356090) is 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one.
What is the SMILES notation for 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one?
The canonical SMILES for 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one is Cc1cc(C)c(-c2c(C)ccc(=O)n2[C@@H](C)c2ccccc2)c(O)c1.
What is the InChIKey of 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one?
The InChIKey is UYXNVIHJLSWYIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14-12-16(3)21(19(24)13-14)22-15(2)10-11-20(25)23(22)17(4)18-8-6-5-7-9-18/h5-13,17,24H,1-4H3/t17-/m0/s1.
What are the key properties of 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one?
6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-4,6-dimethylphenyl)-5-methyl-1-[(1S)-1-phenylethyl]pyridin-2-one is sourced from PubChem (CID 102356090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).