1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one

C21H20ClNO3 — CID 170560096

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C21H20ClNO3/c1-15-21(26-14-16-7-3-2-4-8-16)19(24)11-12-23(15)13-20(25)17-9-5-6-10-18(17)22/h2-12,20,25H,13-14H2,1H3/t20-/m0/s1
InChIKeyXAPYTMCVSZLBKI-FQEVSTJZSA-N
MW369.85 g/mol
LogP4.12
Rot. Bonds6

About 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one

1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 170560096) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID170560096
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C21H20ClNO3/c1-15-21(26-14-16-7-3-2-4-8-16)19(24)11-12-23(15)13-20(25)17-9-5-6-10-18(17)22/h2-12,20,25H,13-14H2,1H3/t20-/m0/s1
InChIKeyXAPYTMCVSZLBKI-FQEVSTJZSA-N
XLogP4.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 170560096) is 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1C[C@H](O)c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is XAPYTMCVSZLBKI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-15-21(26-14-16-7-3-2-4-8-16)19(24)11-12-23(15)13-20(25)17-9-5-6-10-18(17)22/h2-12,20,25H,13-14H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 369.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 170560096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).