(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one

C28H25O3P — CID 135057690

IUPAC(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25O3P/c1-31-24-19-17-22(18-20-24)27(29)21-28(23-11-5-2-6-12-23)32(30,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3/t28-/m1/s1
InChIKeyXDHBTUHRFRFMBC-MUUNZHRXSA-N
MW440.48 g/mol
LogP6.02
Rot. Bonds8

About (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one

(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 135057690) has the molecular formula C28H25O3P and a molecular weight of 440.48 g/mol. Its IUPAC name is (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID135057690
Molecular FormulaC28H25O3P
Molecular Weight440.48 g/mol
Exact Mass440.15
IUPAC Name(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25O3P/c1-31-24-19-17-22(18-20-24)27(29)21-28(23-11-5-2-6-12-23)32(30,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3/t28-/m1/s1
InChIKeyXDHBTUHRFRFMBC-MUUNZHRXSA-N
XLogP6.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 56.02
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

(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one
CID 132581632
(3S)-1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropan-1-one
CID 102126305
methyl 3-diphenylphosphoryl-3-phenylpropanoate
CID 139256756
methyl (3R)-3-diphenylphosphoryl-3-phenylpropanoate
CID 102493910
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528
3-benzylsulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 86240848
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389

Frequently Asked Questions

What is the IUPAC name of (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one (CID 135057690) is (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)C[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is XDHBTUHRFRFMBC-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H25O3P/c1-31-24-19-17-22(18-20-24)27(29)21-28(23-11-5-2-6-12-23)32(30,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3/t28-/m1/s1.
What are the key properties of (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 440.48 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 135057690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).