(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one

C22H21NO2 — CID 143032683

IUPAC(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
SMILESCOc1cccc(C[C@H](C)C(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C22H21NO2/c1-16(14-17-6-5-7-20(15-17)25-2)22(24)19-11-9-18(10-12-19)21-8-3-4-13-23-21/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1
InChIKeyCYXKGYGAVXTKDP-INIZCTEOSA-N
MW331.42 g/mol
LogP4.82
Rot. Bonds6

About (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one

(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one (PubChem CID 143032683) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
PubChem CID143032683
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
SMILESCOc1cccc(C[C@H](C)C(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C22H21NO2/c1-16(14-17-6-5-7-20(15-17)25-2)22(24)19-11-9-18(10-12-19)21-8-3-4-13-23-21/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1
InChIKeyCYXKGYGAVXTKDP-INIZCTEOSA-N
XLogP4.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169320
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
CID 166402330

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one?
The IUPAC name of (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one (CID 143032683) is (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one.
What is the SMILES notation for (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one?
The canonical SMILES for (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one is COc1cccc(C[C@H](C)C(=O)c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one?
The InChIKey is CYXKGYGAVXTKDP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(14-17-6-5-7-20(15-17)25-2)22(24)19-11-9-18(10-12-19)21-8-3-4-13-23-21/h3-13,15-16H,14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one?
(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one is sourced from PubChem (CID 143032683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).