1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one

C15H17NO2 — CID 55127615

IUPAC1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one
SMILESCc1ccc(C(O)Cn2ccc(=O)cc2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-3-4-13(9-12(11)2)15(18)10-16-7-5-14(17)6-8-16/h3-9,15,18H,10H2,1-2H3
InChIKeyUDTJITUQQLANGR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one

1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one (PubChem CID 55127615) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one
PubChem CID55127615
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one
SMILESCc1ccc(C(O)Cn2ccc(=O)cc2)cc1C
InChIInChI=1S/C15H17NO2/c1-11-3-4-13(9-12(11)2)15(18)10-16-7-5-14(17)6-8-16/h3-9,15,18H,10H2,1-2H3
InChIKeyUDTJITUQQLANGR-UHFFFAOYSA-N
XLogP2.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879481
2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one
CID 55126638
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512576
1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95138379
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62937875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one (CID 55127615) is 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one is Cc1ccc(C(O)Cn2ccc(=O)cc2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one?
The InChIKey is UDTJITUQQLANGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-3-4-13(9-12(11)2)15(18)10-16-7-5-14(17)6-8-16/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one?
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one is sourced from PubChem (CID 55127615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).