5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one

C22H23NO4 — CID 138674977

IUPAC5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one
SMILESCc1cc(=O)n(OCc2ccccc2)c(OCc2ccccc2)c1C(C)O
InChIInChI=1S/C22H23NO4/c1-16-13-20(25)23(27-15-19-11-7-4-8-12-19)22(21(16)17(2)24)26-14-18-9-5-3-6-10-18/h3-13,17,24H,14-15H2,1-2H3
InChIKeyJZJCXBBCAMHFLG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.42
Rot. Bonds7

About 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one

5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one (PubChem CID 138674977) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one
PubChem CID138674977
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one
SMILESCc1cc(=O)n(OCc2ccccc2)c(OCc2ccccc2)c1C(C)O
InChIInChI=1S/C22H23NO4/c1-16-13-20(25)23(27-15-19-11-7-4-8-12-19)22(21(16)17(2)24)26-14-18-9-5-3-6-10-18/h3-13,17,24H,14-15H2,1-2H3
InChIKeyJZJCXBBCAMHFLG-UHFFFAOYSA-N
XLogP3.42
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one?
The IUPAC name of 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one (CID 138674977) is 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one?
The canonical SMILES for 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one is Cc1cc(=O)n(OCc2ccccc2)c(OCc2ccccc2)c1C(C)O.
What is the InChIKey of 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one?
The InChIKey is JZJCXBBCAMHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-13-20(25)23(27-15-19-11-7-4-8-12-19)22(21(16)17(2)24)26-14-18-9-5-3-6-10-18/h3-13,17,24H,14-15H2,1-2H3.
What are the key properties of 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one?
5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one is sourced from PubChem (CID 138674977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).