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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560153
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
CID 88853307
1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
CID 141410735
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162663321

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).