(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one

C23H23O3P — CID 132581632

IUPAC(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccccc2)P(C)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23O3P/c1-26-20-15-13-19(14-16-20)23(17-22(24)18-9-5-3-6-10-18)27(2,25)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3/t23-,27?/m0/s1
InChIKeySUTARGFKCQJDJX-DCCUJTHKSA-N
MW378.41 g/mol
LogP5.33
Rot. Bonds7

About (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one

(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one (PubChem CID 132581632) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one
PubChem CID132581632
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccccc2)P(C)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23O3P/c1-26-20-15-13-19(14-16-20)23(17-22(24)18-9-5-3-6-10-18)27(2,25)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3/t23-,27?/m0/s1
InChIKeySUTARGFKCQJDJX-DCCUJTHKSA-N
XLogP5.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 163288557
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one (CID 132581632) is (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one is COc1ccc([C@H](CC(=O)c2ccccc2)P(C)(=O)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one?
The InChIKey is SUTARGFKCQJDJX-DCCUJTHKSA-N. The full InChI is InChI=1S/C23H23O3P/c1-26-20-15-13-19(14-16-20)23(17-22(24)18-9-5-3-6-10-18)27(2,25)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3/t23-,27?/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one?
(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one has a molecular weight of 378.41 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one is sourced from PubChem (CID 132581632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).